N-(4-bromophenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4O2S/c1-13(2)27-17-6-4-5-14(11-17)19-23-24-20(25(19)3)28-12-18(26)22-16-9-7-15(21)8-10-16/h4-11,13H,12H2,1-3H3,(H,22,26)