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

Systemtic Name: 4-[[5-[(4-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClN5O2S/c1-10(19)13(7-18)14(23)9-25-16-21-20-15(22(16)2)8-24-12-5-3-11(17)4-6-12/h3-6,13,19H,8-9H2,1-2H3