(2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-methyl-propanamide CAS Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-methylpropanamide Traditional Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-benzyl-N-methyl-propionamide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NNC(=N2)N

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)SC2=NNC(=N2)N

InChI

InChI=1S/C13H17N5OS/c1-9(20-13-15-12(14)16-17-13)11(19)18(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H3,14,15,16,17)/t9-/m1/s1