2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(phenylmethyl)propanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-benzyl-propanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(phenylmethyl)propanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-benzylpropanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-benzyl-propionamide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)N2C(=NN=C2SC)N

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)N2C(=NN=C2SC)N

InChI

InChI=1S/C13H17N5OS/c1-9(18-12(14)16-17-13(18)20-2)11(19)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,16)(H,15,19)