1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carboxamide CAS Name: 1-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-4,6-dimethyl-2-thioxo-nicotinamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CN3C(=CC(=C(C3=S)C(=O)N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CN3C(=CC(=C(C3=S)C(=O)N)C)C

InChI

InChI=1S/C20H25ClN4OS/c1-13-4-5-16(21)11-17(13)24-8-6-23(7-9-24)12-25-15(3)10-14(2)18(19(22)26)20(25)27/h4-5,10-11H,6-9,12H2,1-3H3,(H2,22,26)