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

Systemtic Name: 5-(4-chlorophenyl)-N-ethyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-ethyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-ethyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-ethyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-ethyl-5-(1H-pyrrol-2-yl)-2-pyrazoline-1-carbothioamide Formula: C16H17ClN4S MolecularWeight: 332.85098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4S/c1-2-18-16(22)21-15(13-4-3-9-19-13)10-14(20-21)11-5-7-12(17)8-6-11/h3-9,15,19H,2,10H2,1H3,(H,18,22)