5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazoline-1-carbothioamide Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=S)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=S)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3OS/c1-22-14-8-4-12(5-9-14)16-10-15(20-21(16)17(19)23)11-2-6-13(18)7-3-11/h2-9,16H,10H2,1H3,(H2,19,23)