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

Systemtic Name: 2-(3,4-dimethylphenyl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(3,4-dimethylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(3,4-dimethylphenyl)-5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(3,4-dimethylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(3,4-dimethylphenyl)-5-[[(1-phenyltetrazol-5-yl)thio]methyl]-3-pyrazolin-3-one Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C19H18N6OS/c1-13-8-9-17(10-14(13)2)24-18(26)11-15(21-24)12-27-19-20-22-23-25(19)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3