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

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

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O2S2/c1-2-23-15-9-11(8-13(19)17(15)22)7-12(10-20)24-18-21-14-5-3-4-6-16(14)25-18/h3-9,22H,2H2,1H3