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

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolylsulfonyl)acetamide CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-tosyl-acetamide Formula: C12H15N5O3S2 MolecularWeight: 341.4092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=NN=C(N2N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=NN=C(N2N)C

InChI

InChI=1S/C12H15N5O3S2/c1-8-3-5-10(6-4-8)22(19,20)16-11(18)7-21-12-15-14-9(2)17(12)13/h3-6H,7,13H2,1-2H3,(H,16,18)