(3R)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-N-(phenylmethyl)-1,3-dihydropyrazole-2-carbothioamide

Systemtic Name: (3R)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-N-(phenylmethyl)-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3R)-N-benzyl-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3R)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-N-(phenylmethyl)-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3R)-N-benzyl-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5R)-N-benzyl-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-3-pyrazoline-1-carbothioamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(N(N2)C(=S)NCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[C@@H](N(N2)C(=S)NCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O3S/c1-31-21-12-10-18(11-13-21)22-15-23(19-8-5-9-20(14-19)28(29)30)27(26-22)24(32)25-16-17-6-3-2-4-7-17/h2-15,23,26H,16H2,1H3,(H,25,32)/t23-/m1/s1