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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-ethoxy-4-(1-naphthylmethoxy)phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[3-ethoxy-4-(1-naphthalenylmethoxy)phenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[3-ethoxy-4-(1-naphthylmethoxy)phenyl]acrylonitrile Formula: C29H22N2O2S2 MolecularWeight: 494.62718

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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=CC5=CC=CC=C54

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H22N2O2S2/c1-2-32-27-17-20(16-23(18-30)34-29-31-25-12-5-6-13-28(25)35-29)14-15-26(27)33-19-22-10-7-9-21-8-3-4-11-24(21)22/h3-17H,2,19H2,1H3