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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)butyramide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5OS/c1-3-16-10-12-18(13-11-16)24-20(28)19(4-2)27-21(23)25-26-22(27)29-15-14-17-8-6-5-7-9-17/h5-13,19H,3-4,14-15H2,1-2H3,(H2,23,25)(H,24,28)