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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NN=CN2C3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NN=CN2C3=CC=CC=C3)OC)Cl

InChI

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