8S4
Summary
Name: | 1-[(4-methoxyphenyl)methyl]-1H-tetrazole |
Formula: | C9 H10 N4 O |
Formal charge: | 0 |
Formula weight: | 190.202 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-[(4-methoxyphenyl)methyl]-1H-tetrazole |
OpenEye OEToolkits | 2.0.6 | 1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2(Cc1ccc(OC)cc1)cnnn2 |
InChI | InChI | 1.03 | InChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3 |
InChIKey | InChI | 1.03 | ODJQFWLXWRQLSQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cn2cnnn2)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(Cn2cnnn2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)Cn2cnnn2 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)Cn2cnnn2 |