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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-benzyl-acetamide Formula: C11H13N5OS MolecularWeight: 263.31882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H13N5OS/c12-10-14-11(16-15-10)18-7-9(17)13-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,17)(H3,12,14,15,16)