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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)N)OC

InChI

InChI=1S/C12H15N5O3S/c1-19-8-4-3-7(5-9(8)20-2)14-10(18)6-21-12-15-11(13)16-17-12/h3-5H,6H2,1-2H3,(H,14,18)(H3,13,15,16,17)