3-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylazepan-2-one Openeye Name: 3-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylazepan-2-one CAS Name: 3-[[1-(3-chlorophenyl)-2-imidazolyl]thio]-2-azepanone IUPAC Name: 3-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylazepan-2-one Traditional Name: 3-[[1-(3-chlorophenyl)imidazol-2-yl]thio]azepan-2-one Formula: C15H16ClN3OS MolecularWeight: 321.82504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H16ClN3OS/c16-11-4-3-5-12(10-11)19-9-8-18-15(19)21-13-6-1-2-7-17-14(13)20/h3-5,8-10,13H,1-2,6-7H2,(H,17,20)