N-(4-cyanophenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-cyanophenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-cyanophenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-cyanophenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-cyanophenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-cyanophenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N5O2S/c1-4-26-19(16-7-11-18(28-3)12-8-16)24-25-21(26)29-14(2)20(27)23-17-9-5-15(13-22)6-10-17/h5-12,14H,4H2,1-3H3,(H,23,27)