N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1,2,4-triazol-1-yl)propionamide Formula: C16H20N6OS MolecularWeight: 344.4346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCN3C=NC=N3

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CCN3C=NC=N3

InChI

InChI=1S/C16H20N6OS/c1-24-9-7-14(16-20-12-4-2-3-5-13(12)21-16)19-15(23)6-8-22-11-17-10-18-22/h2-5,10-11,14H,6-9H2,1H3,(H,19,23)(H,20,21)/t14-/m0/s1