1-(azepan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C14H22N4OS MolecularWeight: 294.41568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NNC(=N2)C3CC3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NNC(=N2)C3CC3

InChI

InChI=1S/C14H22N4OS/c1-10(13(19)18-8-4-2-3-5-9-18)20-14-15-12(16-17-14)11-6-7-11/h10-11H,2-9H2,1H3,(H,15,16,17)