N-(3-cyanothiophen-2-yl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-2-thienyl)acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-2-thienyl)acetamide Formula: C20H19N5OS2 MolecularWeight: 409.52776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C#N)CCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C#N)CCC3=CC=CC=C3

InChI

InChI=1S/C20H19N5OS2/c1-2-11-25-17(9-8-15-6-4-3-5-7-15)23-24-20(25)28-14-18(26)22-19-16(13-21)10-12-27-19/h2-7,10,12H,1,8-9,11,14H2,(H,22,26)