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

Systemtic Name: 2-[[(4E)-5-methyl-4-(4-oxidanyl-3-phenyl-1,3-thiazol-2-ylidene)pyrazol-3-yl]amino]-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[(4E)-4-(4-hydroxy-3-phenyl-thiazol-2-ylidene)-5-methyl-pyrazol-3-yl]amino]-7-oxo-5,6-dihydro-4H-benzothiophene-3-carbonitrile CAS Name: 2-[[(4E)-4-(4-hydroxy-3-phenyl-2-thiazolylidene)-5-methyl-3-pyrazolyl]amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[(4E)-4-(4-hydroxy-3-phenyl-1,3-thiazol-2-ylidene)-5-methylpyrazol-3-yl]amino]-7-oxo-5,6-dihydro-4H-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-5,6-dihydro-4H-benzothiophene-3-carbonitrile Formula: C22H17N5O2S2 MolecularWeight: 447.53268

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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)CCC5)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)CCC5)C#N

InChI

InChI=1S/C22H17N5O2S2/c1-12-18(22-27(17(29)11-30-22)13-6-3-2-4-7-13)20(26-25-12)24-21-15(10-23)14-8-5-9-16(28)19(14)31-21/h2-4,6-7,11,29H,5,8-9H2,1H3,(H,24,26)/b22-18+