S-[5-methyl-3-oxidanylidene-2-(phenylcarbamoyl)-1H-pyrazol-4-yl] benzenecarbothioate

Systemtic Name: S-[5-methyl-3-oxidanylidene-2-(phenylcarbamoyl)-1H-pyrazol-4-yl] benzenecarbothioate Openeye Name: S-[5-methyl-3-oxo-2-(phenylcarbamoyl)-1H-pyrazol-4-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[anilino(oxo)methyl]-5-methyl-3-oxo-1H-pyrazol-4-yl] ester IUPAC Name: S-[5-methyl-3-oxo-2-(phenylcarbamoyl)-1H-pyrazol-4-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[5-keto-3-methyl-1-(phenylcarbamoyl)-3-pyrazolin-4-yl] ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(=O)NC2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1)C(=O)NC2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3S/c1-12-15(25-17(23)13-8-4-2-5-9-13)16(22)21(20-12)18(24)19-14-10-6-3-7-11-14/h2-11,20H,1H3,(H,19,24)