4-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one

Systemtic Name: 4-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one Openeye Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)-1-butanone IUPAC Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one Traditional Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)butan-1-one Formula: C18H16Br2N4OS MolecularWeight: 496.21884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(N2N)SCCCC(=O)C3=CC=C(C=C3)Br)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(N2N)SCCCC(=O)C3=CC=C(C=C3)Br)Br

InChI

InChI=1S/C18H16Br2N4OS/c19-13-9-7-12(8-10-13)16(25)6-3-11-26-18-23-22-17(24(18)21)14-4-1-2-5-15(14)20/h1-2,4-5,7-10H,3,6,11,21H2