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

Systemtic Name: 2-ethanimidoyl-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H15N5O2S/c1-9(17)12(7-16)13(21)8-23-15-18-14(19-20-15)10-3-5-11(22-2)6-4-10/h3-6,12,17H,8H2,1-2H3,(H,18,19,20)