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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]-N-isopropyl-N-phenyl-acetamide Formula: C27H27BrN4O2S MolecularWeight: 551.49788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C(C)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C(C)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H27BrN4O2S/c1-4-34-24-16-14-23(15-17-24)32-26(20-10-12-21(28)13-11-20)29-30-27(32)35-18-25(33)31(19(2)3)22-8-6-5-7-9-22/h5-17,19H,4,18H2,1-3H3