5-(4-chlorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-isopropyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-propan-2-yl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-isopropyl-2-pyrazoline-1-carbothioamide Formula: C13H16ClN3S MolecularWeight: 281.80424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CCC(=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)NC(=S)N1CCC(=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClN3S/c1-9(2)15-13(18)17-8-7-12(16-17)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,18)