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

Systemtic Name: 5-[(3-cyclopentyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-(4-benzylpiperazin-1-yl)-5-[(3-cyclopentyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1,4-dimethyl-2-oxo-6-[4-(phenylmethyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile Traditional Name: 6-(4-benzylpiperazino)-5-[(3-cyclopentyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-nicotinonitrile Formula: C28H31N5O2S2 MolecularWeight: 533.70804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)C3CCCC3)N4CCN(CC4)CC5=CC=CC=C5)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)C3CCCC3)N4CCN(CC4)CC5=CC=CC=C5)C)C#N

InChI

InChI=1S/C28H31N5O2S2/c1-19-22(16-24-27(35)33(28(36)37-24)21-10-6-7-11-21)25(30(2)26(34)23(19)17-29)32-14-12-31(13-15-32)18-20-8-4-3-5-9-20/h3-5,8-9,16,21H,6-7,10-15,18H2,1-2H3