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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C18H23N5OS/c1-12(2)18(5,11-19)20-16(24)13(3)25-17-22-21-14(4)23(17)15-9-7-6-8-10-15/h6-10,12-13H,1-5H3,(H,20,24)