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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholinosulfonylphenyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-morpholinosulfonylphenyl)butyramide Formula: C24H30N6O4S2 MolecularWeight: 530.6628

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=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C24H30N6O4S2/c1-2-21(30-23(25)27-28-24(30)35-17-12-18-6-4-3-5-7-18)22(31)26-19-8-10-20(11-9-19)36(32,33)29-13-15-34-16-14-29/h3-11,21H,2,12-17H2,1H3,(H2,25,27)(H,26,31)