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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[3-ethoxy-4-(4-nitrobenzyl)oxy-phenyl]acrylonitrile Formula: C25H19N3O4S2 MolecularWeight: 489.56606

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O4S2/c1-2-31-23-14-18(9-12-22(23)32-16-17-7-10-19(11-8-17)28(29)30)13-20(15-26)33-25-27-21-5-3-4-6-24(21)34-25/h3-14H,2,16H2,1H3