2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-butylphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-butylphenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-butylphenyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-butylphenyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-butylphenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-butylphenyl)butyramide Formula: C24H31N5OS MolecularWeight: 437.60084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C24H31N5OS/c1-3-5-9-19-12-14-20(15-13-19)26-22(30)21(4-2)29-23(25)27-28-24(29)31-17-16-18-10-7-6-8-11-18/h6-8,10-15,21H,3-5,9,16-17H2,1-2H3,(H2,25,27)(H,26,30)