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

Systemtic Name: 4-oxidanylidene-6-phenyl-2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-phenyl-2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-2-yl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-6-phenyl-2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-6-phenyl-2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-phenyl-2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-2-yl)-1H-pyrimidine-5-carbonitrile Formula: C19H12N6OS MolecularWeight: 372.40318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3C(=NC(=S)N3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3C(=NC(=S)N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C19H12N6OS/c20-11-14-15(12-7-3-1-4-8-12)21-18(23-17(14)26)25-16(22-19(27)24-25)13-9-5-2-6-10-13/h1-10H,(H,24,27)(H,21,23,26)