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

Systemtic Name: N-(4-cyanophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-cyanophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-cyanophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-cyanophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-cyanophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19N5OS/c1-3-14-4-8-16(9-5-14)18-23-20(25-24-18)27-13(2)19(26)22-17-10-6-15(12-21)7-11-17/h4-11,13H,3H2,1-2H3,(H,22,26)(H,23,24,25)