(2R)-4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2R)-4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C19H23N5O2S MolecularWeight: 385.48322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C(C#N)C(=N)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)[C@@H](C#N)C(=N)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H23N5O2S/c1-4-5-10-24-18(14-6-8-15(26-3)9-7-14)22-23-19(24)27-12-17(25)16(11-20)13(2)21/h6-9,16,21H,4-5,10,12H2,1-3H3/t16-/m0/s1