2-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolylsulfonyl)acetamide CAS Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]-N-tosyl-acetamide Formula: C13H17N5O3S2 MolecularWeight: 355.43578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=NN=C(N1N)SCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H17N5O3S2/c1-3-11-15-16-13(18(11)14)22-8-12(19)17-23(20,21)10-6-4-9(2)5-7-10/h4-7H,3,8,14H2,1-2H3,(H,17,19)