3-(3,4-dimethoxyphenyl)-1-phenyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]pyrazole-4-carboxamide Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC(=C3)N4C=CNC4=S)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC(=C3)N4C=CNC4=S)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H23N5O3S/c1-34-23-12-11-18(15-24(23)35-2)25-22(17-32(30-25)20-8-4-3-5-9-20)26(33)29-19-7-6-10-21(16-19)31-14-13-28-27(31)36/h3-17H,1-2H3,(H,28,36)(H,29,33)