2-[3-[(4-bromanylphenoxy)methyl]-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[3-[(4-bromanylphenoxy)methyl]-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-benzyl-3-[(4-bromophenoxy)methyl]-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[3-[(4-bromophenoxy)methyl]-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-benzyl-3-[(4-bromophenoxy)methyl]-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[4-benzyl-3-[(4-bromophenoxy)methyl]-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide Formula: C27H27BrN4O2S MolecularWeight: 551.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C27H27BrN4O2S/c1-20(2)32(23-11-7-4-8-12-23)26(33)18-31-27(35)30(17-21-9-5-3-6-10-21)25(29-31)19-34-24-15-13-22(28)14-16-24/h3-16,20H,17-19H2,1-2H3