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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-bromanyl-2-prop-2-enoxy-phenyl)prop-2-enenitrile Openeye Name: 3-(2-allyloxy-5-bromo-phenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-bromo-2-prop-2-enoxyphenyl)prop-2-enenitrile Traditional Name: 3-(2-allyloxy-5-bromo-phenyl)-2-(1,3-benzothiazol-2-ylthio)acrylonitrile Formula: C19H13BrN2OS2 MolecularWeight: 429.35332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2OS2/c1-2-9-23-17-8-7-14(20)10-13(17)11-15(12-21)24-19-22-16-5-3-4-6-18(16)25-19/h2-8,10-11H,1,9H2