2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one Openeye Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one CAS Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)-1-propanone IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one Traditional Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)propan-1-one Formula: C24H20BrN3O2S MolecularWeight: 494.4035

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H20BrN3O2S/c1-16(22(29)17-10-14-21(30-2)15-11-17)31-24-27-26-23(18-8-12-19(25)13-9-18)28(24)20-6-4-3-5-7-20/h3-16H,1-2H3