(3S)-3-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: (3S)-3-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one Openeye Name: (3S)-3-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one CAS Name: (3S)-3-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-2-azepanone IUPAC Name: (3S)-3-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one Traditional Name: (3S)-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]azepan-2-one Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN=C2SC3CCCCNC3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN=C2S[C@H]3CCCCNC3=O)C

InChI

InChI=1S/C17H21N3OS/c1-12-6-5-7-14(13(12)2)20-11-10-19-17(20)22-15-8-3-4-9-18-16(15)21/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H,18,21)/t15-/m0/s1