N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C18H18ClN4O3S+ MolecularWeight: 405.87852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C18H17ClN4O3S/c1-25-15-9-16(26-2)14(8-13(15)19)22-17(24)10-27-18-20-11-21-23(18)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,22,24)/p+1