1,4-dimethyl-2-oxidanylidene-5-[(4-oxidanylidene-3-prop-2-enyl-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-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-[4-(phenylmethyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 5-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 1,4-dimethyl-2-oxo-5-[(4-oxo-3-prop-2-enyl-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-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile Traditional Name: 5-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-(4-benzylpiperazino)-2-keto-1,4-dimethyl-nicotinonitrile Formula: C26H27N5O2S2 MolecularWeight: 505.65488

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H27N5O2S2/c1-4-10-31-25(33)22(35-26(31)34)15-20-18(2)21(16-27)24(32)28(3)23(20)30-13-11-29(12-14-30)17-19-8-6-5-7-9-19/h4-9,15H,1,10-14,17H2,2-3H3