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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-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-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-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-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=C(N1CC=C)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=C(N1CC=C)C2=CC=CC=C2

InChI

InChI=1S/C20H25N5OS/c1-6-12-25-17(16-10-8-7-9-11-16)23-24-19(25)27-15(4)18(26)22-20(5,13-21)14(2)3/h6-11,14-15H,1,12H2,2-5H3,(H,22,26)