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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H29N5O2S2/c1-17(2)31-25(33)22(35-26(31)34)14-20-18(3)21(15-27)24(32)28(4)23(20)30-12-10-29(11-13-30)16-19-8-6-5-7-9-19/h5-9,14,17H,10-13,16H2,1-4H3