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

Systemtic Name: 5-(4-methylphenyl)-N-propyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-propyl-5-(p-tolyl)-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-methylphenyl)-N-propyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-methylphenyl)-N-propyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-propyl-3-(p-tolyl)-5-(1H-pyrrol-2-yl)-2-pyrazoline-1-carbothioamide Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)C)C3=CC=CN3

Isomeric SMILES

CCCNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)C)C3=CC=CN3

InChI

InChI=1S/C18H22N4S/c1-3-10-20-18(23)22-17(15-5-4-11-19-15)12-16(21-22)14-8-6-13(2)7-9-14/h4-9,11,17,19H,3,10,12H2,1-2H3,(H,20,23)