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

Systemtic Name: (2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-propanamide CAS Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzylpropanamide Traditional Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-benzyl-propionamide Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NNC(=N2)N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)SC2=NNC(=N2)N

InChI

InChI=1S/C12H15N5OS/c1-8(19-12-15-11(13)16-17-12)10(18)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,18)(H3,13,15,16,17)/t8-/m1/s1