2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(1H-1,2,4-triazol-5-yl)ethanamide

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(1H-1,2,4-triazol-5-yl)ethanamide Openeye Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(1H-1,2,4-triazol-5-yl)acetamide CAS Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(1H-1,2,4-triazol-5-yl)acetamide IUPAC Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(1H-1,2,4-triazol-5-yl)acetamide Traditional Name: 2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(1H-1,2,4-triazol-5-yl)acetamide Formula: C14H12N6O2S MolecularWeight: 328.34908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)NC3=NC=NN3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)NC3=NC=NN3

InChI

InChI=1S/C14H12N6O2S/c21-11-6-10(9-4-2-1-3-5-9)17-14(19-11)23-7-12(22)18-13-15-8-16-20-13/h1-6,8H,7H2,(H,17,19,21)(H2,15,16,18,20,22)