3-[2-bromanyl-5-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]-5-chloranyl-benzenecarbonitrile

Systemtic Name: 3-[2-bromanyl-5-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]-5-chloranyl-benzenecarbonitrile Openeye Name: 3-[2-bromo-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]-5-chloro-benzonitrile CAS Name: 3-[2-bromo-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]-5-chlorobenzonitrile IUPAC Name: 3-[2-bromo-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]-5-chlorobenzonitrile Traditional Name: 3-[2-bromo-5-[(5-keto-4-methyl-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]-5-chloro-benzonitrile Formula: C17H12BrClN4O3 MolecularWeight: 435.65918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=O)COC2=CC(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)Cl

Isomeric SMILES

CN1C(=NNC1=O)COC2=CC(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)Cl

InChI

InChI=1S/C17H12BrClN4O3/c1-23-16(21-22-17(23)24)9-25-12-2-3-14(18)15(7-12)26-13-5-10(8-20)4-11(19)6-13/h2-7H,9H2,1H3,(H,22,24)