1,3-diphenyl-N-(pyrimidin-2-ylcarbamothioyl)pyrazole-4-carboxamide

Systemtic Name: 1,3-diphenyl-N-(pyrimidin-2-ylcarbamothioyl)pyrazole-4-carboxamide Openeye Name: 1,3-diphenyl-N-(pyrimidin-2-ylcarbamothioyl)pyrazole-4-carboxamide CAS Name: 1,3-diphenyl-N-[(2-pyrimidinylamino)-sulfanylidenemethyl]-4-pyrazolecarboxamide IUPAC Name: 1,3-diphenyl-N-(pyrimidin-2-ylcarbamothioyl)pyrazole-4-carboxamide Traditional Name: 1,3-diphenyl-N-(2-pyrimidylthiocarbamoyl)pyrazole-4-carboxamide Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N6OS/c28-19(24-21(29)25-20-22-12-7-13-23-20)17-14-27(16-10-5-2-6-11-16)26-18(17)15-8-3-1-4-9-15/h1-14H,(H2,22,23,24,25,28,29)