N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C12H13ClN4O3S MolecularWeight: 328.77462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NC=NN2)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NC=NN2)OC)Cl

InChI

InChI=1S/C12H13ClN4O3S/c1-19-9-4-8(10(20-2)3-7(9)13)16-11(18)5-21-12-14-6-15-17-12/h3-4,6H,5H2,1-2H3,(H,16,18)(H,14,15,17)