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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

InChI

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