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

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-4-morpholinosulfonyl-benzamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-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)NC3=NC(=NN3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=NN3)SCC4=CC=C(C=C4)Cl

InChI

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