2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-[[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]thio]-6-keto-4-methyl-1H-pyridine-3-carbonitrile Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=C(C(=CC(=O)N3)C)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=C(C(=CC(=O)N3)C)C#N)C

InChI

InChI=1S/C21H24N4O2S/c1-14-5-4-6-18(16(14)3)24-7-9-25(10-8-24)20(27)13-28-21-17(12-22)15(2)11-19(26)23-21/h4-6,11H,7-10,13H2,1-3H3,(H,23,26)