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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-phenethyl-acetamide Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5OS/c13-11-15-12(17-16-11)19-8-10(18)14-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,18)(H3,13,15,16,17)