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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-[(2,4-dimethylanilino)-oxomethyl]propanamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-[(2,4-dimethylphenyl)carbamoyl]propionamide Formula: C14H18N6O2S MolecularWeight: 334.39672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NN=CN2N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NN=CN2N)C

InChI

InChI=1S/C14H18N6O2S/c1-8-4-5-11(9(2)6-8)17-13(22)18-12(21)10(3)23-14-19-16-7-20(14)15/h4-7,10H,15H2,1-3H3,(H2,17,18,21,22)