2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-morpholinosulfonylphenyl)acetamide Formula: C21H24N6O4S2 MolecularWeight: 488.58306

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C21H24N6O4S2/c22-20-24-25-21(32-15-16-4-2-1-3-5-16)27(20)14-19(28)23-17-6-8-18(9-7-17)33(29,30)26-10-12-31-13-11-26/h1-9H,10-15H2,(H2,22,24)(H,23,28)