N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=NN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=NN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H21N5O4S2/c1-11-3-4-13(19-15(22)12(2)26-16-17-10-18-20-16)9-14(11)27(23,24)21-5-7-25-8-6-21/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,22)(H,17,18,20)