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

Systemtic Name: (3S)-3-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: (3S)-3-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: (3S)-3-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C15H18N4O2S/c20-13-12(8-4-5-9-16-13)22-15-18-17-14(21)19(15)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,20)(H,17,21)/t12-/m0/s1