JLY
Summary
Name: | 4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine |
Formula: | C14 H13 N O S |
Formal charge: | 0 |
Formula weight: | 243.324 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine |
OpenEye OEToolkits | 2.0.6 | 4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c23c(C(c1ccc(OC)cc1)=NCC2)ccs3 |
InChI | InChI | 1.03 | InChI=1S/C14H13NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9H,6,8H2,1H3 |
InChIKey | InChI | 1.03 | BYZQPJHAZYJXRH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2=NCCc3sccc23 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2=NCCc3sccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)C2=NCCc3c2ccs3 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)C2=NCCc3c2ccs3 |