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

Systemtic Name: 5-(4-methoxyphenyl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-methoxyphenyl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-methoxyphenyl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-methoxyphenyl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-N-phenyl-2-pyrazoline-1-carbothioamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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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)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3S/c1-30-20-12-10-16(11-13-20)21-15-22(17-6-5-9-19(14-17)27(28)29)26(25-21)23(31)24-18-7-3-2-4-8-18/h2-14,22H,15H2,1H3,(H,24,31)