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

Systemtic Name: (2R)-2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-methyl-propanamide CAS Name: (2R)-2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-methylpropanamide Traditional Name: (2R)-2-[(4-amino-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=NN=CN2N

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)SC2=NN=CN2N

InChI

InChI=1S/C13H17N5OS/c1-10(20-13-16-15-9-18(13)14)12(19)17(2)8-11-6-4-3-5-7-11/h3-7,9-10H,8,14H2,1-2H3/t10-/m1/s1