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

Systemtic Name: N-(4-cyanophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-cyanophenyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-cyanophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-cyanophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-cyanophenyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C#N)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C#N)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H23N5OS/c1-4-12-27-20(18-7-5-6-15(2)13-18)25-26-22(27)29-16(3)21(28)24-19-10-8-17(14-23)9-11-19/h5-11,13,16H,4,12H2,1-3H3,(H,24,28)