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

Systemtic Name: 2-(3-methylphenyl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(m-tolyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(3-methylphenyl)-5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(3-methylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(m-tolyl)-5-[[(1-phenyltetrazol-5-yl)thio]methyl]-3-pyrazolin-3-one Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6OS/c1-13-6-5-9-16(10-13)23-17(25)11-14(20-23)12-26-18-19-21-22-24(18)15-7-3-2-4-8-15/h2-11,20H,12H2,1H3