N-(3-cyanothiophen-2-yl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H18N6OS2 MolecularWeight: 446.54792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CS3)C#N)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CS3)C#N)C4=CC=NC=C4

InChI

InChI=1S/C22H18N6OS2/c1-2-15-3-5-18(6-4-15)28-20(16-7-10-24-11-8-16)26-27-22(28)31-14-19(29)25-21-17(13-23)9-12-30-21/h3-12H,2,14H2,1H3,(H,25,29)