N-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioyl]-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioyl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[[(1,3-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioyl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[(1,3-dimethylpyrazol-4-yl)methylthiocarbamoyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=S)NC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1CNC(=S)NC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H22N6OS/c1-16-18(14-28(2)26-16)13-24-23(31)25-22(30)20-15-29(19-11-7-4-8-12-19)27-21(20)17-9-5-3-6-10-17/h3-12,14-15H,13H2,1-2H3,(H2,24,25,30,31)