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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(dimethylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(dimethylsulfamoyl)phenyl]butyramide Formula: C22H28N6O3S2 MolecularWeight: 488.62612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O3S2/c1-4-19(20(29)24-17-10-12-18(13-11-17)33(30,31)27(2)3)28-21(23)25-26-22(28)32-15-14-16-8-6-5-7-9-16/h5-13,19H,4,14-15H2,1-3H3,(H2,23,25)(H,24,29)