2-[[2-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-4-bromanyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-4-bromanyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-4-bromo-phenoxy]methyl]benzonitrile CAS Name: 2-[[2-[(2-amino-4-oxo-5-thiazolylidene)methyl]-4-bromophenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-4-bromophenoxy]methyl]benzonitrile Traditional Name: 2-[[2-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-4-bromo-phenoxy]methyl]benzonitrile Formula: C18H12BrN3O2S MolecularWeight: 414.27578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)C=C3C(=O)N=C(S3)N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)C=C3C(=O)N=C(S3)N)C#N

InChI

InChI=1S/C18H12BrN3O2S/c19-14-5-6-15(24-10-12-4-2-1-3-11(12)9-20)13(7-14)8-16-17(23)22-18(21)25-16/h1-8H,10H2,(H2,21,22,23)