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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-morpholinosulfonylphenyl)propionamide Formula: C22H26N6O4S2 MolecularWeight: 502.60964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O4S2/c1-16(28-21(23)25-26-22(28)33-15-17-5-3-2-4-6-17)20(29)24-18-7-9-19(10-8-18)34(30,31)27-11-13-32-14-12-27/h2-10,16H,11-15H2,1H3,(H2,23,25)(H,24,29)