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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-p-anisyl-acetamide Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OC)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CN(CC1=CC=C(C=C1)OC)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C13H17N5O2S/c1-18(7-9-3-5-10(20-2)6-4-9)11(19)8-21-13-15-12(14)16-17-13/h3-6H,7-8H2,1-2H3,(H3,14,15,16,17)