N-[3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide

Systemtic Name: N-[3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide Openeye Name: N-[3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide CAS Name: N-[3-[5-(1H-benzimidazol-2-ylmethylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide IUPAC Name: N-[3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide Traditional Name: N-[3-[5-(1H-benzimidazol-2-ylmethylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]propionamide Formula: C20H20N6OS MolecularWeight: 392.4774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H20N6OS/c1-3-18(27)21-14-8-6-7-13(11-14)19-24-25-20(26(19)2)28-12-17-22-15-9-4-5-10-16(15)23-17/h4-11H,3,12H2,1-2H3,(H,21,27)(H,22,23)