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

Systemtic Name: 2-[(4-azanyl-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]-N-(3-methoxyphenyl)acetamide Formula: C17H18N5O2S+ MolecularWeight: 356.42212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NNC(=[N+]2N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NNC(=[N+]2N)C3=CC=CC=C3

InChI

InChI=1S/C17H17N5O2S/c1-24-14-9-5-8-13(10-14)19-15(23)11-25-17-21-20-16(22(17)18)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3,(H,19,23)/p+1