2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,4-diethoxyphenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,4-diethoxyphenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,4-diethoxyphenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3,4-diethoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,4-diethoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3,4-diethoxyphenyl)acrylonitrile Formula: C20H18N2O2S2 MolecularWeight: 382.49912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C20H18N2O2S2/c1-3-23-17-10-9-14(12-18(17)24-4-2)11-15(13-21)25-20-22-16-7-5-6-8-19(16)26-20/h5-12H,3-4H2,1-2H3