2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C10H10N4OS MolecularWeight: 234.2776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C10H10N4OS/c11-9-12-10(14-13-9)16-6-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H3,11,12,13,14)