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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3Br

InChI

InChI=1S/C21H21BrN4O2S/c1-4-11-26-20(15-7-5-6-8-16(15)22)24-25-21(26)29-13-19(27)23-17-12-14(2)9-10-18(17)28-3/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)