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

Systemtic Name: [5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-yl-methanone Openeye Name: [5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-(2-thienyl)methanone CAS Name: [5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone IUPAC Name: [5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone Traditional Name: [3-(4-bromophenyl)-5-(3-nitrophenyl)-2-pyrazolin-1-yl]-(2-thienyl)methanone Formula: C20H14BrN3O3S MolecularWeight: 456.31246

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14BrN3O3S/c21-15-8-6-13(7-9-15)17-12-18(14-3-1-4-16(11-14)24(26)27)23(22-17)20(25)19-5-2-10-28-19/h1-11,18H,12H2