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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC(=CC=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC(=CC=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

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