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

Systemtic Name: N-(2-cyano-1-benzofuran-3-yl)-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-(2-cyanobenzofuran-3-yl)acetamide CAS Name: N-(2-cyano-3-benzofuranyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyano-1-benzofuran-3-yl)-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-(2-cyanobenzofuran-3-yl)acetamide Formula: C22H17N5O2S MolecularWeight: 415.46768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(OC3=CC=CC=C32)C#N)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(OC3=CC=CC=C32)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O2S/c1-2-12-27-21(15-8-4-3-5-9-15)25-26-22(27)30-14-19(28)24-20-16-10-6-7-11-17(16)29-18(20)13-23/h2-11H,1,12,14H2,(H,24,28)