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

Systemtic Name: 2-ethanimidoyl-4-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 4-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=CC=C3

InChI

InChI=1S/C19H17N5O2S/c1-13(21)16(10-20)17(25)12-27-19-23-22-18(14-6-3-2-4-7-14)24(19)11-15-8-5-9-26-15/h2-9,16,21H,11-12H2,1H3