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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C13H14N6OS MolecularWeight: 302.35486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C13H14N6OS/c14-12-15-13(17-16-12)21-8-11(20)19-7-6-10(18-19)9-4-2-1-3-5-9/h1-5H,6-8H2,(H3,14,15,16,17)