2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromanyl-4,5-diethoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromanyl-4,5-diethoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4,5-diethoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4,5-diethoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4,5-diethoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4,5-diethoxy-phenyl)acrylonitrile Formula: C20H17BrN2O2S2 MolecularWeight: 461.39518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Br)OCC

InChI

InChI=1S/C20H17BrN2O2S2/c1-3-24-17-11-13(10-15(21)19(17)25-4-2)9-14(12-22)26-20-23-16-7-5-6-8-18(16)27-20/h5-11H,3-4H2,1-2H3