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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(diethylsulfamoyl)phenyl]butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(diethylsulfamoyl)phenyl]butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(diethylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(diethylsulfamoyl)phenyl]butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(diethylsulfamoyl)phenyl]butyramide Formula: C24H32N6O3S2 MolecularWeight: 516.67928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N6O3S2/c1-4-21(30-23(25)27-28-24(30)34-17-16-18-10-8-7-9-11-18)22(31)26-19-12-14-20(15-13-19)35(32,33)29(5-2)6-3/h7-15,21H,4-6,16-17H2,1-3H3,(H2,25,27)(H,26,31)