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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(diethylsulfamoyl)phenyl]propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(diethylsulfamoyl)phenyl]propionamide Formula: C23H30N6O3S2 MolecularWeight: 502.6527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O3S2/c1-4-28(5-2)34(31,32)20-13-11-19(12-14-20)25-21(30)17(3)29-22(24)26-27-23(29)33-16-15-18-9-7-6-8-10-18/h6-14,17H,4-5,15-16H2,1-3H3,(H2,24,26)(H,25,30)