3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(4-chlorophenyl)-5-(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(4-chlorophenyl)-3-(p-tolyl)-2-pyrazoline-1-carbothioamide Formula: C17H16ClN3S MolecularWeight: 329.84704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=S)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=S)N

InChI

InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)