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

Systemtic Name: 2-(4-chlorophenyl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(4-chlorophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(4-chlorophenyl)-5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-chlorophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(4-chlorophenyl)-5-[[(1-phenyltetrazol-5-yl)thio]methyl]-3-pyrazolin-3-one Formula: C17H13ClN6OS MolecularWeight: 384.84272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)N(N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)N(N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H13ClN6OS/c18-12-6-8-15(9-7-12)23-16(25)10-13(20-23)11-26-17-19-21-22-24(17)14-4-2-1-3-5-14/h1-10,20H,11H2