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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)CSC2=NN=CN2N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)CSC2=NN=CN2N)C

InChI

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