1,4-dimethyl-5-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 1,4-dimethyl-5-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-5-[(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-oxo-pyridine-3-carbonitrile CAS Name: 1,4-dimethyl-5-[(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-2-oxo-6-[4-(phenylmethyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile Traditional Name: 6-(4-benzylpiperazino)-2-keto-5-[(4-keto-3-methyl-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-nicotinonitrile Formula: C24H25N5O2S2 MolecularWeight: 479.6176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)C)N3CCN(CC3)CC4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)C)N3CCN(CC3)CC4=CC=CC=C4)C)C#N

InChI

InChI=1S/C24H25N5O2S2/c1-16-18(13-20-23(31)27(3)24(32)33-20)21(26(2)22(30)19(16)14-25)29-11-9-28(10-12-29)15-17-7-5-4-6-8-17/h4-8,13H,9-12,15H2,1-3H3