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

Systemtic Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-morpholinosulfonyl-benzamide Formula: C20H20ClN5O4S2 MolecularWeight: 493.9869

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O4S2/c21-15-2-1-3-16(12-15)26-18(23-24-20(26)31)13-22-19(27)14-4-6-17(7-5-14)32(28,29)25-8-10-30-11-9-25/h1-7,12H,8-11,13H2,(H,22,27)(H,24,31)