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

Systemtic Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)N

InChI

InChI=1S/C17H15BrN4OS/c1-22-16(12-4-8-14(19)9-5-12)20-21-17(22)24-10-15(23)11-2-6-13(18)7-3-11/h2-9H,10,19H2,1H3