3-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylazepan-2-one Openeye Name: 3-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanylazepan-2-one CAS Name: 3-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]-2-azepanone IUPAC Name: 3-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylazepan-2-one Traditional Name: 3-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]azepan-2-one Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SC3CCCCNC3=O

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SC3CCCCNC3=O

InChI

InChI=1S/C16H18ClN3OS/c1-11-12(17)5-4-6-13(11)20-10-9-19-16(20)22-14-7-2-3-8-18-15(14)21/h4-6,9-10,14H,2-3,7-8H2,1H3,(H,18,21)