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

Systemtic Name: (3S)-3-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SC3CCCCNC3=O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)S[C@H]3CCCCNC3=O

InChI

InChI=1S/C16H20N4OS/c1-11-6-5-7-12(10-11)14-18-19-16(20(14)2)22-13-8-3-4-9-17-15(13)21/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,17,21)/t13-/m0/s1