2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-(cyanomethoxy)phenyl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-(cyanomethoxy)phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-(cyanomethoxy)phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2-(cyanomethoxy)phenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-(cyanomethoxy)phenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2-(cyanomethoxy)phenyl]acrylonitrile Formula: C18H11N3OS2 MolecularWeight: 349.42944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC#N

InChI

InChI=1S/C18H11N3OS2/c19-9-10-22-16-7-3-1-5-13(16)11-14(12-20)23-18-21-15-6-2-4-8-17(15)24-18/h1-8,11H,10H2