[2-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-pyrazol-3-yl]methanethiol

Systemtic Name: [2-(4-methylphenyl)sulfonyl-4-phenylsulfanyl-pyrazol-3-yl]methanethiol Openeye Name: [4-phenylsulfanyl-2-(p-tolylsulfonyl)pyrazol-3-yl]methanethiol CAS Name: [2-(4-methylphenyl)sulfonyl-4-(phenylthio)-3-pyrazolyl]methanethiol IUPAC Name: [2-(4-methylphenyl)sulfonyl-4-phenylsulfanylpyrazol-3-yl]methanethiol Traditional Name: [4-(phenylthio)-2-tosyl-pyrazol-3-yl]methanethiol Formula: C17H16N2O2S3 MolecularWeight: 376.51614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C=N2)SC3=CC=CC=C3)CS

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C=N2)SC3=CC=CC=C3)CS

InChI

InChI=1S/C17H16N2O2S3/c1-13-7-9-15(10-8-13)24(20,21)19-16(12-22)17(11-18-19)23-14-5-3-2-4-6-14/h2-11,22H,12H2,1H3