2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(dimethylsulfamoyl)phenyl]propionamide Formula: C21H26N6O3S2 MolecularWeight: 474.59954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C21H26N6O3S2/c1-15(19(28)23-17-9-11-18(12-10-17)32(29,30)26(2)3)27-20(22)24-25-21(27)31-14-13-16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H2,22,24)(H,23,28)