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

Systemtic Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-morpholinosulfonyl-benzamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N5O5S2/c1-30-18-5-3-2-4-17(18)26-19(23-24-21(26)32)14-22-20(27)15-6-8-16(9-7-15)33(28,29)25-10-12-31-13-11-25/h2-9H,10-14H2,1H3,(H,22,27)(H,24,32)