S-methylsulfanyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazole-4-carbothioate

Systemtic Name: S-methylsulfanyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazole-4-carbothioate Openeye Name: S-methylsulfanyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazole-4-carbothioate CAS Name: 2-[(4-chloroanilino)-oxomethyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carbothioic acid S-(methylthio) ester IUPAC Name: S-methylsulfanyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazole-4-carbothioate Traditional Name: 3-(4-chlorophenyl)-1-[(4-chlorophenyl)carbamoyl]-4-methyl-2-pyrazoline-4-carbothioic acid S-(methylthio) ester Formula: C19H17Cl2N3O2S2 MolecularWeight: 454.39318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl)C(=O)SSC

Isomeric SMILES

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl)C(=O)SSC

InChI

InChI=1S/C19H17Cl2N3O2S2/c1-19(17(25)28-27-2)11-24(18(26)22-15-9-7-14(21)8-10-15)23-16(19)12-3-5-13(20)6-4-12/h3-10H,11H2,1-2H3,(H,22,26)