(3R)-2-(4-tert-butylphenyl)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazole

Systemtic Name: (3R)-2-(4-tert-butylphenyl)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazole Openeye Name: (3R)-2-(4-tert-butylphenyl)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazole CAS Name: (3R)-2-(4-tert-butylphenyl)-5-(4-methoxyphenyl)-3-[4-(methylthio)phenyl]-3,4-dihydropyrazole IUPAC Name: (3R)-2-(4-tert-butylphenyl)-5-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazole Traditional Name: (5R)-1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-5-[4-(methylthio)phenyl]-2-pyrazoline Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2[C@H](CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)SC

InChI

InChI=1S/C27H30N2OS/c1-27(2,3)21-10-12-22(13-11-21)29-26(20-8-16-24(31-5)17-9-20)18-25(28-29)19-6-14-23(30-4)15-7-19/h6-17,26H,18H2,1-5H3/t26-/m1/s1