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

Systemtic Name: N-ethyl-5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-ethyl-5-(p-tolyl)-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-ethyl-5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-ethyl-5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-ethyl-3-(p-tolyl)-5-(1H-pyrrol-2-yl)-2-pyrazoline-1-carbothioamide Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4S/c1-3-18-17(22)21-16(14-5-4-10-19-14)11-15(20-21)13-8-6-12(2)7-9-13/h4-10,16,19H,3,11H2,1-2H3,(H,18,22)