(3S)-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one

Systemtic Name: (3S)-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: (3S)-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: (3S)-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: (3S)-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: (3S)-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCCCNC2=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1S[C@H]2CCCCNC2=O)C3=CC=CC=C3

InChI

InChI=1S/C15H18N4OS/c1-19-13(11-7-3-2-4-8-11)17-18-15(19)21-12-9-5-6-10-16-14(12)20/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,16,20)/t12-/m0/s1