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

Systemtic Name: 3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-isobutyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-(1H-benzimidazol-2-ylmethylthio)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-(1H-benzimidazol-2-ylmethylthio)-4-isobutyl-1,2,4-triazol-3-yl]propionamide Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)CCC(=O)N

InChI

InChI=1S/C17H22N6OS/c1-11(2)9-23-16(8-7-14(18)24)21-22-17(23)25-10-15-19-12-5-3-4-6-13(12)20-15/h3-6,11H,7-10H2,1-2H3,(H2,18,24)(H,19,20)