N-[(2,5-dimethylpyrazol-3-yl)carbamothioyl]-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)carbamothioyl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)carbamothioyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[[(2,5-dimethyl-3-pyrazolyl)amino]-sulfanylidenemethyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)carbamothioyl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)thiocarbamoyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=S)NC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=S)NC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N6OS/c1-15-13-19(27(2)25-15)23-22(30)24-21(29)18-14-28(17-11-7-4-8-12-17)26-20(18)16-9-5-3-6-10-16/h3-14H,1-2H3,(H2,23,24,29,30)