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

Systemtic Name: 3-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C11H18N4O2S MolecularWeight: 270.35122

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC2CCCCNC2=O

Isomeric SMILES

CCCN1C(=O)NN=C1SC2CCCCNC2=O

InChI

InChI=1S/C11H18N4O2S/c1-2-7-15-10(17)13-14-11(15)18-8-5-3-4-6-12-9(8)16/h8H,2-7H2,1H3,(H,12,16)(H,13,17)