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

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

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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(=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/h1-10,19H,17H2