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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2-[(4-nitrophenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2-(4-nitrobenzyl)oxyphenyl]acrylonitrile Formula: C23H15N3O3S2 MolecularWeight: 445.5135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15N3O3S2/c24-14-19(30-23-25-20-6-2-4-8-22(20)31-23)13-17-5-1-3-7-21(17)29-15-16-9-11-18(12-10-16)26(27)28/h1-13H,15H2