(4R)-5-azanyl-2-phenyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4H-pyrazol-3-one

Systemtic Name: (4R)-5-azanyl-2-phenyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4H-pyrazol-3-one Openeye Name: (4R)-5-amino-2-phenyl-4-(1-phenyltetrazol-5-yl)sulfanyl-4H-pyrazol-3-one CAS Name: (4R)-5-amino-2-phenyl-4-[(1-phenyl-5-tetrazolyl)thio]-4H-pyrazol-3-one IUPAC Name: (4R)-5-amino-2-phenyl-4-(1-phenyltetrazol-5-yl)sulfanyl-4H-pyrazol-3-one Traditional Name: (4R)-5-amino-2-phenyl-4-[(1-phenyltetrazol-5-yl)thio]-2-pyrazolin-3-one Formula: C16H13N7OS MolecularWeight: 351.38572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)[C@@H](C(=N2)N)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C16H13N7OS/c17-14-13(15(24)22(19-14)11-7-3-1-4-8-11)25-16-18-20-21-23(16)12-9-5-2-6-10-12/h1-10,13H,(H2,17,19)/t13-/m1/s1