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

Systemtic Name: (3S)-3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC2CCCCNC2=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1S[C@H]2CCCCNC2=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C18H24N4OS/c1-3-11-22-16(14-8-6-7-13(2)12-14)20-21-18(22)24-15-9-4-5-10-19-17(15)23/h6-8,12,15H,3-5,9-11H2,1-2H3,(H,19,23)/t15-/m0/s1