2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-pyrimidyl)acetamide Formula: C14H12N6OS MolecularWeight: 312.34968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=NC=CC=N3

InChI

InChI=1S/C14H12N6OS/c21-11(17-13-15-7-4-8-16-13)9-22-14-18-12(19-20-14)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19,20)(H,15,16,17,21)