5-[[5-bromanyl-2-(naphthalen-2-ylmethoxy)phenyl]amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-[[5-bromanyl-2-(naphthalen-2-ylmethoxy)phenyl]amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 5-[5-bromo-2-(2-naphthylmethoxy)anilino]-3-oxo-isothiazole-4-carbonitrile CAS Name: 5-[5-bromo-2-(2-naphthalenylmethoxy)anilino]-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 5-[5-bromo-2-(naphthalen-2-ylmethoxy)anilino]-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 5-[5-bromo-2-(2-naphthylmethoxy)anilino]-3-keto-4-isothiazoline-4-carbonitrile Formula: C21H14BrN3O2S MolecularWeight: 452.32376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)COC3=C(C=C(C=C3)Br)NC4=C(C(=O)NS4)C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)COC3=C(C=C(C=C3)Br)NC4=C(C(=O)NS4)C#N

InChI

InChI=1S/C21H14BrN3O2S/c22-16-7-8-19(18(10-16)24-21-17(11-23)20(26)25-28-21)27-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-10,24H,12H2,(H,25,26)