N-(2-cyanophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-cyanophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)propanamide CAS Name: N-(2-cyanophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-cyanophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanophenyl)propionamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H19N5OS/c1-3-13-26-19(16-9-5-4-6-10-16)24-25-21(26)28-15(2)20(27)23-18-12-8-7-11-17(18)14-22/h3-12,15H,1,13H2,2H3,(H,23,27)