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

Systemtic Name: 5-(4-chlorophenyl)-N-propyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-propyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-propyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-propyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-propyl-5-(1H-pyrrol-2-yl)-2-pyrazoline-1-carbothioamide Formula: C17H19ClN4S MolecularWeight: 346.87756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4S/c1-2-9-20-17(23)22-16(14-4-3-10-19-14)11-15(21-22)12-5-7-13(18)8-6-12/h3-8,10,16,19H,2,9,11H2,1H3,(H,20,23)