(3S)-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: (3S)-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one Openeye Name: (3S)-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one CAS Name: (3S)-3-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]-2-azepanone IUPAC Name: (3S)-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylazepan-2-one Traditional Name: (3S)-3-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]azepan-2-one Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3OS/c1-12-6-7-13(2)14(11-12)20-10-9-19-17(20)22-15-5-3-4-8-18-16(15)21/h6-7,9-11,15H,3-5,8H2,1-2H3,(H,18,21)/t15-/m0/s1