6-(1,3-diphenylpyrazol-4-yl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(1,3-diphenylpyrazol-4-yl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(1,3-diphenylpyrazol-4-yl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(1,3-diphenyl-4-pyrazolyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(1,3-diphenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(1,3-diphenylpyrazol-4-yl)-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C20H13N5OS MolecularWeight: 371.41512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C3=C(C(=O)NC(=S)N3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C3=C(C(=O)NC(=S)N3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C20H13N5OS/c21-11-15-18(22-20(27)23-19(15)26)16-12-25(14-9-5-2-6-10-14)24-17(16)13-7-3-1-4-8-13/h1-10,12H,(H2,22,23,26,27)