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

Systemtic Name: 4-azanyl-6-phenyl-2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-phenyl-2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-2-yl)pyrimidine-5-carbonitrile CAS Name: 4-amino-6-phenyl-2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-6-phenyl-2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-2-yl)pyrimidine-5-carbonitrile Traditional Name: 4-amino-6-phenyl-2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-2-yl)pyrimidine-5-carbonitrile Formula: C19H13N7S MolecularWeight: 371.41842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N7S/c20-11-14-15(12-7-3-1-4-8-12)22-18(23-16(14)21)26-17(24-19(27)25-26)13-9-5-2-6-10-13/h1-10H,(H,25,27)(H2,21,22,23)