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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C21H23BrN4O2S/c1-13(2)28-17-7-5-6-15(11-17)20-24-25-21(26(20)4)29-12-19(27)23-18-9-8-16(22)10-14(18)3/h5-11,13H,12H2,1-4H3,(H,23,27)