5-(3-chlorophenyl)-N-methyl-N-(phenylmethyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(3-chlorophenyl)-N-methyl-N-(phenylmethyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-benzyl-5-(3-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-chlorophenyl)-N-methyl-N-(phenylmethyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-benzyl-5-(3-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-benzyl-3-(3-chlorophenyl)-N-methyl-2-pyrazoline-1-carbothioamide Formula: C18H18ClN3S MolecularWeight: 343.87362

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=S)N2CCC(=N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=S)N2CCC(=N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClN3S/c1-21(13-14-6-3-2-4-7-14)18(23)22-11-10-17(20-22)15-8-5-9-16(19)12-15/h2-9,12H,10-11,13H2,1H3