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

Systemtic Name: 4-morpholin-4-ylsulfonyl-N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-morpholinosulfonyl-benzamide CAS Name: 4-(4-morpholinylsulfonyl)-N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-morpholinosulfonyl-benzamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O4S2/c27-20(17-6-8-18(9-7-17)32(28,29)25-10-12-30-13-11-25)22-14-19-23-24-21(31)26(19)15-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,27)(H,24,31)