2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2,4-di(propan-2-yloxy)phenyl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2,4-di(propan-2-yloxy)phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2,4-diisopropoxyphenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2,4-di(propan-2-yloxy)phenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2,4-di(propan-2-yloxy)phenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(2,4-diisopropoxyphenyl)acrylonitrile Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OC(C)C

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OC(C)C

InChI

InChI=1S/C22H22N2O2S2/c1-14(2)25-17-10-9-16(20(12-17)26-15(3)4)11-18(13-23)27-22-24-19-7-5-6-8-21(19)28-22/h5-12,14-15H,1-4H3