2-(1,3-benzothiazol-2-yl)-3-(5-bromanyl-2-butoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(5-bromanyl-2-butoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(5-bromo-2-butoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(5-bromo-2-butoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(5-bromo-2-butoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(5-bromo-2-butoxy-phenyl)acrylonitrile Formula: C20H17BrN2OS MolecularWeight: 413.33078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C=C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H17BrN2OS/c1-2-3-10-24-18-9-8-16(21)12-14(18)11-15(13-22)20-23-17-6-4-5-7-19(17)25-20/h4-9,11-12H,2-3,10H2,1H3