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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylonitrile Formula: C17H11BrN2O2S2 MolecularWeight: 419.31544

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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)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/SC2=NC3=CC=CC=C3S2)Br)O

InChI

InChI=1S/C17H11BrN2O2S2/c1-22-14-8-10(7-12(18)16(14)21)6-11(9-19)23-17-20-13-4-2-3-5-15(13)24-17/h2-8,21H,1H3/b11-6+