1,4-dimethyl-2-oxidanylidene-5-[(4-oxidanylidene-3-propyl-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-propyl-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-[(4-oxo-3-propyl-2-thioxo-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile CAS Name: 1,4-dimethyl-2-oxo-5-[(4-oxo-3-propyl-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-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile Traditional Name: 6-(4-benzylpiperazino)-2-keto-5-[(4-keto-3-propyl-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-nicotinonitrile Formula: C26H29N5O2S2 MolecularWeight: 507.67076

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)CC4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)CC4=CC=CC=C4)SC1=S

InChI

InChI=1S/C26H29N5O2S2/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/h5-9,15H,4,10-14,17H2,1-3H3