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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCCOC2=CC=CC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCCOC2=CC=CC=C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN4O2S/c1-2-12-26-20(16-7-6-8-17(22)14-16)24-25-21(26)29-15-19(27)23-11-13-28-18-9-4-3-5-10-18/h2-10,14H,1,11-13,15H2,(H,23,27)