N-(2-cyanophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanophenyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C#N)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C#N)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H21N5OS/c1-3-11-26-20(16-9-6-7-15(2)12-16)24-25-21(26)28-14-19(27)23-18-10-5-4-8-17(18)13-22/h4-10,12H,3,11,14H2,1-2H3,(H,23,27)