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

Systemtic Name: (2R)-2-ethanimidoyl-4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: (2R)-4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-2-ethanimidoyl-4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-3-keto-4-[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C(C#N)C(=N)C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[C@@H](C#N)C(=N)C)C3=CC=CC=C3

InChI

InChI=1S/C22H21N5O2S/c1-3-29-18-11-9-17(10-12-18)27-21(16-7-5-4-6-8-16)25-26-22(27)30-14-20(28)19(13-23)15(2)24/h4-12,19,24H,3,14H2,1-2H3/t19-/m0/s1