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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-methylphenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(o-tolyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2-methylphenyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-methylphenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(o-tolyl)butyramide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c1-3-18(19(27)23-17-12-8-7-9-15(17)2)26-20(22)24-25-21(26)28-14-13-16-10-5-4-6-11-16/h4-12,18H,3,13-14H2,1-2H3,(H2,22,24)(H,23,27)