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

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxy-benzamide Formula: C22H25BrN4O4S MolecularWeight: 521.4273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN4O4S/c1-4-29-17-11-14(12-18(30-5-2)20(17)31-6-3)21(28)24-13-19-25-26-22(32)27(19)16-9-7-15(23)8-10-16/h7-12H,4-6,13H2,1-3H3,(H,24,28)(H,26,32)