[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C30H21N5O3S MolecularWeight: 531.58444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3=C(C=C(C=C3)C=C(C#N)C4=NC5=CC=CC=C5N4)OC)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3=C(C=C(C=C3)/C=C(\C#N)/C4=NC5=CC=CC=C5N4)OC)C6=CC=CC=C6

InChI

InChI=1S/C30H21N5O3S/c1-18-22-16-27(39-29(22)35(34-18)21-8-4-3-5-9-21)30(36)38-25-13-12-19(15-26(25)37-2)14-20(17-31)28-32-23-10-6-7-11-24(23)33-28/h3-16H,1-2H3,(H,32,33)/b20-14+