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

Systemtic Name: 4-morpholin-4-ylsulfonyl-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 4-morpholinosulfonyl-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 4-(4-morpholinylsulfonyl)-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide IUPAC Name: 4-morpholin-4-ylsulfonyl-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 4-morpholinosulfonyl-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4S2/c26-19(21-14-18-22-23-20(30)25(18)16-4-2-1-3-5-16)15-6-8-17(9-7-15)31(27,28)24-10-12-29-13-11-24/h1-9H,10-14H2,(H,21,26)(H,23,30)