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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/c1-4-10-26-20(14-8-6-5-7-9-14)24-25-21(26)30-13-19(27)23-16-12-17(28-2)15(22)11-18(16)29-3/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)