N-[4-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]carbonylphenyl]ethanamide

Systemtic Name: N-[4-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[4-[3,5-dimethyl-4-(p-tolylsulfanyl)pyrazole-1-carbonyl]phenyl]acetamide CAS Name: N-[4-[[3,5-dimethyl-4-[(4-methylphenyl)thio]-1-pyrazolyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[4-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole-1-carbonyl]phenyl]acetamide Traditional Name: N-[4-[3,5-dimethyl-4-(p-tolylthio)pyrazole-1-carbonyl]phenyl]acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C21H21N3O2S/c1-13-5-11-19(12-6-13)27-20-14(2)23-24(15(20)3)21(26)17-7-9-18(10-8-17)22-16(4)25/h5-12H,1-4H3,(H,22,25)