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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Br)OC

InChI

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