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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5OS/c1-17(2)10(18)9(8-6-4-3-5-7-8)19-12-14-11(13)15-16-12/h3-7,9H,1-2H3,(H3,13,14,15,16)