5-(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-(4-isopropoxyphenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-4-[2-(phenylthio)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-(4-isopropoxyphenyl)-4-[2-(phenylthio)ethyl]-2-pyrazoline-1-carboxamide Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)CCSC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)CCSC4=CC=CC=C4

InChI

InChI=1S/C27H28ClN3O2S/c1-19(2)33-24-14-12-23(13-15-24)29-27(32)31-18-21(16-17-34-25-6-4-3-5-7-25)26(30-31)20-8-10-22(28)11-9-20/h3-15,19,21H,16-18H2,1-2H3,(H,29,32)