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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(2,4-dimethylanilino)-oxomethyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O2S/c1-7-3-4-9(8(2)5-7)15-12(21)16-10(20)6-22-13-17-11(14)18-19-13/h3-5H,6H2,1-2H3,(H3,14,17,18,19)(H2,15,16,20,21)