2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[4-(2-chlorobenzyl)oxy-3-ethoxy-phenyl]acrylonitrile Formula: C25H19ClN2O2S2 MolecularWeight: 479.01356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H19ClN2O2S2/c1-2-29-23-14-17(11-12-22(23)30-16-18-7-3-4-8-20(18)26)13-19(15-27)31-25-28-21-9-5-6-10-24(21)32-25/h3-14H,2,16H2,1H3