2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C22H15BrN4O3S MolecularWeight: 495.3485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15BrN4O3S/c23-17-9-11-18(12-10-17)26-21(15-5-2-1-3-6-15)24-25-22(26)31-14-20(28)16-7-4-8-19(13-16)27(29)30/h1-13H,14H2