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

Systemtic Name: (2S)-2-ethanimidoyl-4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H17N5O2S/c1-12(21)16(10-20)17(25)11-27-19-23-22-18(15-8-9-26-13(15)2)24(19)14-6-4-3-5-7-14/h3-9,16,21H,11H2,1-2H3/t16-/m1/s1