5-(4-methylphenyl)-N-phenyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide chloride

Systemtic Name: 5-(4-methylphenyl)-N-phenyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide chloride Openeye Name: N-phenyl-5-(p-tolyl)-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide chloride CAS Name: 5-(4-methylphenyl)-N-phenyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide chloride IUPAC Name: 5-(4-methylphenyl)-N-phenyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide chloride Traditional Name: N-phenyl-3-(p-tolyl)-5-(1H-pyrrol-2-yl)-2-pyrazoline-1-carbothioamide chloride Formula: C21H20ClN4S- MolecularWeight: 395.9283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CN3)C(=S)NC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CN3)C(=S)NC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H20N4S.ClH/c1-15-9-11-16(12-10-15)19-14-20(18-8-5-13-22-18)25(24-19)21(26)23-17-6-3-2-4-7-17;/h2-13,20,22H,14H2,1H3,(H,23,26);1H/p-1