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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-chloro-2,5-dimethoxy-phenyl)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(N2CC=C)C3=CC=NC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)OC)Cl

InChI

InChI=1S/C20H20ClN5O3S/c1-4-9-26-19(13-5-7-22-8-6-13)24-25-20(26)30-12-18(27)23-15-11-16(28-2)14(21)10-17(15)29-3/h4-8,10-11H,1,9,12H2,2-3H3,(H,23,27)