Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccc2c(c1)SC=4N2C(=O)C(Cc3ccccc3)=C(O)N=4)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H11ClN2O2S/c18-11-6-7-13-14(9-11)23-17-19-15(21)12(16(22)20(13)17)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2 |
InChIKey | InChI | 1.03 | LTTZBQUWRGBLKU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(Cc2ccccc2)C(=O)N3C(=N1)Sc4cc(Cl)ccc34 |
SMILES | CACTVS | 3.385 | OC1=C(Cc2ccccc2)C(=O)N3C(=N1)Sc4cc(Cl)ccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O |