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

Systemtic Name: (2S)-2-ethanimidoyl-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C14H15N5O2S/c1-8(16)11(6-15)12(20)7-22-14-18-17-13(19(14)3)10-4-5-21-9(10)2/h4-5,11,16H,7H2,1-3H3/t11-/m1/s1