5-[2-chloranyl-5-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile

Systemtic Name: 5-[2-chloranyl-5-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile Openeye Name: 5-[2-chloro-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile CAS Name: 5-[2-chloro-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[2-chloro-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile Traditional Name: 5-[2-chloro-5-[(5-keto-4-methyl-1H-1,2,4-triazol-3-yl)methyl]phenoxy]isophthalonitrile Formula: C18H12ClN5O2 MolecularWeight: 365.77318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=O)CC2=CC(=C(C=C2)Cl)OC3=CC(=CC(=C3)C#N)C#N

Isomeric SMILES

CN1C(=NNC1=O)CC2=CC(=C(C=C2)Cl)OC3=CC(=CC(=C3)C#N)C#N

InChI

InChI=1S/C18H12ClN5O2/c1-24-17(22-23-18(24)25)8-11-2-3-15(19)16(7-11)26-14-5-12(9-20)4-13(6-14)10-21/h2-7H,8H2,1H3,(H,23,25)