2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-mesityl-butyramide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1C)C)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1C)C)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C23H29N5OS/c1-5-19(21(29)25-20-16(3)13-15(2)14-17(20)4)28-22(24)26-27-23(28)30-12-11-18-9-7-6-8-10-18/h6-10,13-14,19H,5,11-12H2,1-4H3,(H2,24,26)(H,25,29)