N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN4O2S/c1-25-15-8-2-12(3-9-15)10-17(24)20-11-16-21-22-18(26)23(16)14-6-4-13(19)5-7-14/h2-9H,10-11H2,1H3,(H,20,24)(H,22,26)