5,5-dimethyl-2-[[(4E)-5-methyl-4-(4-oxidanyl-3-phenyl-1,3-thiazol-2-ylidene)pyrazol-3-yl]amino]-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 5,5-dimethyl-2-[[(4E)-5-methyl-4-(4-oxidanyl-3-phenyl-1,3-thiazol-2-ylidene)pyrazol-3-yl]amino]-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[(4E)-4-(4-hydroxy-3-phenyl-thiazol-2-ylidene)-5-methyl-pyrazol-3-yl]amino]-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophene-3-carbonitrile CAS Name: 2-[[(4E)-4-(4-hydroxy-3-phenyl-2-thiazolylidene)-5-methyl-3-pyrazolyl]amino]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[(4E)-4-(4-hydroxy-3-phenyl-1,3-thiazol-2-ylidene)-5-methylpyrazol-3-yl]amino]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[(4E)-4-(4-hydroxy-3-phenyl-4-thiazolin-2-ylidene)-5-methyl-pyrazol-3-yl]amino]-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophene-3-carbonitrile Formula: C24H21N5O2S2 MolecularWeight: 475.58584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C1=C2N(C(=CS2)O)C3=CC=CC=C3)NC4=C(C5=C(S4)C(=O)CC(C5)(C)C)C#N

Isomeric SMILES

CC\1=NN=C(/C1=C/2\N(C(=CS2)O)C3=CC=CC=C3)NC4=C(C5=C(S4)C(=O)CC(C5)(C)C)C#N

InChI

InChI=1S/C24H21N5O2S2/c1-13-19(23-29(18(31)12-32-23)14-7-5-4-6-8-14)21(28-27-13)26-22-16(11-25)15-9-24(2,3)10-17(30)20(15)33-22/h4-8,12,31H,9-10H2,1-3H3,(H,26,28)/b23-19+