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

Systemtic Name: 5-(4-chlorophenyl)-N-methyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-methyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-methyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-methyl-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-methyl-5-(1H-pyrrol-2-yl)-2-pyrazoline-1-carbothioamide Formula: C15H15ClN4S MolecularWeight: 318.8244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4S/c1-17-15(21)20-14(12-3-2-8-18-12)9-13(19-20)10-4-6-11(16)7-5-10/h2-8,14,18H,9H2,1H3,(H,17,21)