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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholinosulfonylphenyl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-[4-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-morpholinosulfonylphenyl)butyramide Formula: C23H28N6O4S2 MolecularWeight: 516.63622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C23H28N6O4S2/c1-2-20(29-22(24)26-27-23(29)34-16-17-6-4-3-5-7-17)21(30)25-18-8-10-19(11-9-18)35(31,32)28-12-14-33-15-13-28/h3-11,20H,2,12-16H2,1H3,(H2,24,26)(H,25,30)