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

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-morpholinosulfonyl-benzamide Formula: C20H20BrN5O4S2 MolecularWeight: 538.4379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN5O4S2/c21-15-3-5-16(6-4-15)26-18(23-24-20(26)31)13-22-19(27)14-1-7-17(8-2-14)32(28,29)25-9-11-30-12-10-25/h1-8H,9-13H2,(H,22,27)(H,24,31)