N-(4-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-(4-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-(4-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(4-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-(4-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-(4-bromophenyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butyramide Formula: C28H29BrN4OS MolecularWeight: 549.52506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H29BrN4OS/c1-5-24(26(34)30-22-17-15-21(29)16-18-22)35-27-32-31-25(33(27)23-9-7-6-8-10-23)19-11-13-20(14-12-19)28(2,3)4/h6-18,24H,5H2,1-4H3,(H,30,34)