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

Systemtic Name: 2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[[4-allyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[[4-allyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyano-2-thienyl)acetamide Formula: C22H23N5O2S2 MolecularWeight: 453.58032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C22H23N5O2S2/c1-3-5-12-29-18-8-6-16(7-9-18)20-25-26-22(27(20)11-4-2)31-15-19(28)24-21-17(14-23)10-13-30-21/h4,6-10,13H,2-3,5,11-12,15H2,1H3,(H,24,28)