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

Systemtic Name: (2R)-2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(2-methylphenyl)butanamide Openeye Name: (2R)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(o-tolyl)butanamide CAS Name: (2R)-2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(2-methylphenyl)butanamide IUPAC Name: (2R)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(2-methylphenyl)butanamide Traditional Name: (2R)-2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(o-tolyl)butyramide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C)N2C(=NN=C2SC)N

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=CC=C1C)N2C(=NN=C2SC)N

InChI

InChI=1S/C14H19N5OS/c1-4-11(19-13(15)17-18-14(19)21-3)12(20)16-10-8-6-5-7-9(10)2/h5-8,11H,4H2,1-3H3,(H2,15,17)(H,16,20)/t11-/m1/s1