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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NCC4=CC=CC=C4

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/h2-14,23H,15-16H2,1H3,(H,25,32)/t23-/m0/s1