N-[3-[(4-fluorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[3-[(4-fluorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[3-[(4-fluorophenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-3H-benzimidazole-5-carboxamide CAS Name: N-[3-[(4-fluorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[3-[(4-fluorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[3-(4-fluorobenzyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3H-benzimidazole-5-carboxamide Formula: C17H13FN6OS MolecularWeight: 368.388123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NNC(=S)N2NC(=O)C3=CC4=C(C=C3)N=CN4)F

Isomeric SMILES

C1=CC(=CC=C1CC2=NNC(=S)N2NC(=O)C3=CC4=C(C=C3)N=CN4)F

InChI

InChI=1S/C17H13FN6OS/c18-12-4-1-10(2-5-12)7-15-21-22-17(26)24(15)23-16(25)11-3-6-13-14(8-11)20-9-19-13/h1-6,8-9H,7H2,(H,19,20)(H,22,26)(H,23,25)