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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NNC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NNC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23N5O2S/c1-11(2)18(4,10-19)21-16(24)12(3)26-17-20-15(22-23-17)13-6-8-14(25-5)9-7-13/h6-9,11-12H,1-5H3,(H,21,24)(H,20,22,23)