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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)acetamide Formula: C23H21BrN4O2S MolecularWeight: 497.40744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN4O2S/c24-19-10-8-18(9-11-19)22-26-27-23(28(22)13-12-17-5-2-1-3-6-17)31-16-21(29)25-15-20-7-4-14-30-20/h1-11,14H,12-13,15-16H2,(H,25,29)