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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-isopropyl-N-phenyl-acetamide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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