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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-bromanyl-2,4-dimethoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-bromo-2,4-dimethoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(5-bromo-2,4-dimethoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-bromo-2,4-dimethoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(5-bromo-2,4-dimethoxy-phenyl)acrylonitrile Formula: C18H13BrN2O2S2 MolecularWeight: 433.34202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)SC2=NC3=CC=CC=C3S2)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C=C(C#N)SC2=NC3=CC=CC=C3S2)Br)OC

InChI

InChI=1S/C18H13BrN2O2S2/c1-22-15-9-16(23-2)13(19)8-11(15)7-12(10-20)24-18-21-14-5-3-4-6-17(14)25-18/h3-9H,1-2H3