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

Systemtic Name: (2S)-2-ethanimidoyl-4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: (2S)-4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C16H17N5OS/c1-3-11-4-6-12(7-5-11)15-19-16(21-20-15)23-9-14(22)13(8-17)10(2)18/h4-7,13,18H,3,9H2,1-2H3,(H,19,20,21)/t13-/m1/s1