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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20ClN5O3S MolecularWeight: 445.9225

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)Cl)OC

InChI

InChI=1S/C20H20ClN5O3S/c1-28-16-9-17(29-2)15(8-14(16)21)23-18(27)11-30-20-25-24-19(26(20)13-5-6-13)12-4-3-7-22-10-12/h3-4,7-10,13H,5-6,11H2,1-2H3,(H,23,27)