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

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(1H-benzimidazol-2-ylmethylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-(1H-benzimidazol-2-ylmethylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]acetamide Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC(=O)N)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CC1C2=NN=C(N2CC(=O)N)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C15H16N6OS/c16-12(22)7-21-14(9-5-6-9)19-20-15(21)23-8-13-17-10-3-1-2-4-11(10)18-13/h1-4,9H,5-8H2,(H2,16,22)(H,17,18)