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

Systemtic Name: N-[3-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-(1H-benzimidazol-2-ylmethylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-(1H-benzimidazol-2-ylmethylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5CC5

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5CC5

InChI

InChI=1S/C21H20N6OS/c1-13(28)22-15-5-4-6-16(11-15)27-20(14-9-10-14)25-26-21(27)29-12-19-23-17-7-2-3-8-18(17)24-19/h2-8,11,14H,9-10,12H2,1H3,(H,22,28)(H,23,24)