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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)acrylonitrile Formula: C19H15BrN2O2S2 MolecularWeight: 447.3686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C#N)SC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C=C(C#N)SC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C19H15BrN2O2S2/c1-3-24-18-14(20)9-12(10-16(18)23-2)8-13(11-21)25-19-22-15-6-4-5-7-17(15)26-19/h4-10H,3H2,1-2H3