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

Systemtic Name: 2-(4-chlorophenyl)-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(4-chlorophenyl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(4-chlorophenyl)-5-[[(1-methyl-5-tetrazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-chlorophenyl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(4-chlorophenyl)-5-[[(1-methyltetrazol-5-yl)thio]methyl]-3-pyrazolin-3-one Formula: C12H11ClN6OS MolecularWeight: 322.77334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC(=O)N(N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC(=O)N(N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C12H11ClN6OS/c1-18-12(14-16-17-18)21-7-9-6-11(20)19(15-9)10-4-2-8(13)3-5-10/h2-6,15H,7H2,1H3