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

Systemtic Name: 3-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 3-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 3-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C16H20N4O2S/c21-14-13(8-4-5-10-17-14)23-16-19-18-15(22)20(16)11-9-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,21)(H,18,22)