2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholinosulfonylphenyl)butanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(4-morpholinosulfonylphenyl)butyramide Formula: C17H24N6O4S2 MolecularWeight: 440.54026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C(=NN=C3SC)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C(=NN=C3SC)N

InChI

InChI=1S/C17H24N6O4S2/c1-3-14(23-16(18)20-21-17(23)28-2)15(24)19-12-4-6-13(7-5-12)29(25,26)22-8-10-27-11-9-22/h4-7,14H,3,8-11H2,1-2H3,(H2,18,20)(H,19,24)