[(3R)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3R)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-yl-methanone Openeye Name: [(3R)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-(2-thienyl)methanone CAS Name: [(3R)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone IUPAC Name: [(3R)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone Traditional Name: [(5R)-3-(3-methoxyphenyl)-5-(3-nitrophenyl)-2-pyrazolin-1-yl]-(2-thienyl)methanone Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN([C@H](C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O4S/c1-28-17-8-3-5-14(12-17)18-13-19(15-6-2-7-16(11-15)24(26)27)23(22-18)21(25)20-9-4-10-29-20/h2-12,19H,13H2,1H3/t19-/m1/s1