2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC1NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4OS/c22-17-8-6-16(7-9-17)20-24-25-21(28-14-19(27)23-18-10-11-18)26(20)13-12-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,23,27)