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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-thienyl)-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-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide Formula: C19H19ClN4O3S2 MolecularWeight: 450.96216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)OC)Cl

InChI

InChI=1S/C19H19ClN4O3S2/c1-4-7-24-18(16-6-5-8-28-16)22-23-19(24)29-11-17(25)21-13-10-14(26-2)12(20)9-15(13)27-3/h4-6,8-10H,1,7,11H2,2-3H3,(H,21,25)