2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2,4-dichloro-5-methyl-phenyl)sulfanyl-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(2,4-dichloro-5-methylphenyl)thio]-1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2,4-dichloro-5-methylphenyl)sulfanyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(2,4-dichloro-5-methyl-phenyl)thio]-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C21H25Cl2N3OS MolecularWeight: 438.4137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=C(C=C(C(=C3)C)Cl)Cl

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=C(C=C(C(=C3)C)Cl)Cl

InChI

InChI=1S/C21H25Cl2N3OS/c1-15-11-20(19(23)12-18(15)22)28-14-21(27)26-8-4-7-25(9-10-26)13-17-6-3-5-16(2)24-17/h3,5-6,11-12H,4,7-10,13-14H2,1-2H3