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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C23H25BrN4O2S MolecularWeight: 501.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C23H25BrN4O2S/c1-5-11-28-22(17-7-6-8-19(13-17)30-15(2)3)26-27-23(28)31-14-21(29)25-20-10-9-18(24)12-16(20)4/h5-10,12-13,15H,1,11,14H2,2-4H3,(H,25,29)