1-(5-chloranylthiophen-2-yl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(5-chloro-2-thienyl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(5-chloro-2-thiophenyl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(5-chlorothiophen-2-yl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(5-chloro-2-thienyl)-2-[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(S3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(S3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O2S2/c1-2-28-17-10-8-16(9-11-17)26-21(15-6-4-3-5-7-15)24-25-22(26)29-14-18(27)19-12-13-20(23)30-19/h3-13H,2,14H2,1H3