3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-morpholinosulfonylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-morpholinosulfonylbenzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O4S2/c26-20-22-23-21(25(20)10-9-17-5-2-1-3-6-17)30-16-18-7-4-8-19(15-18)31(27,28)24-11-13-29-14-12-24/h1-8,15H,9-14,16H2,(H,22,26)