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

Systemtic Name: 1,4-dimethyl-2-oxidanylidene-5-[(Z)-[4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-[4-(phenylmethyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile CAS Name: 1,4-dimethyl-2-oxo-5-[(Z)-[4-oxo-3-(2-oxolanylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]-6-[4-(phenylmethyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile Traditional Name: 6-(4-benzylpiperazino)-2-keto-5-[(Z)-[4-keto-3-(tetrahydrofurfuryl)-2-thioxo-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-nicotinonitrile Formula: C28H31N5O3S2 MolecularWeight: 549.70744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CC3CCCO3)N4CCN(CC4)CC5=CC=CC=C5)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1/C=C\2/C(=O)N(C(=S)S2)CC3CCCO3)N4CCN(CC4)CC5=CC=CC=C5)C)C#N

InChI

InChI=1S/C28H31N5O3S2/c1-19-22(15-24-27(35)33(28(37)38-24)18-21-9-6-14-36-21)25(30(2)26(34)23(19)16-29)32-12-10-31(11-13-32)17-20-7-4-3-5-8-20/h3-5,7-8,15,21H,6,9-14,17-18H2,1-2H3/b24-15-