2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-propanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-propanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-propanamide CAS Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylpropanamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpropanamide Traditional Name: 2-[[5-(4-bromophenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]-N-isopropyl-propionamide Formula: C22H25BrN4O2S MolecularWeight: 489.4285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(C)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(C)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN4O2S/c1-5-29-19-12-10-18(11-13-19)27-20(16-6-8-17(23)9-7-16)25-26-22(27)30-15(4)21(28)24-14(2)3/h6-15H,5H2,1-4H3,(H,24,28)