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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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