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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-bromo-2-prop-2-ynoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-bromo-2-prop-2-ynoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(5-bromo-2-propargyloxy-phenyl)acrylonitrile Formula: C19H11BrN2OS2 MolecularWeight: 427.33744

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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/C19H11BrN2OS2/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/h1,3-8,10-11H,9H2