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

Systemtic Name: (3S)-3-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: (3S)-3-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: (3S)-3-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: (3S)-3-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: (3S)-3-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SC3CCCCNC3=O

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)S[C@H]3CCCCNC3=O

InChI

InChI=1S/C17H22N4OS/c1-12(2)15-19-17(20-21(15)13-8-4-3-5-9-13)23-14-10-6-7-11-18-16(14)22/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,18,22)/t14-/m0/s1