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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2-[(4-bromophenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2-(4-bromobenzyl)oxyphenyl]acrylonitrile Formula: C23H15BrN2OS2 MolecularWeight: 479.412

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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)Br

Isomeric SMILES

C1=CC=C(C(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H15BrN2OS2/c24-18-11-9-16(10-12-18)15-27-21-7-3-1-5-17(21)13-19(14-25)28-23-26-20-6-2-4-8-22(20)29-23/h1-13H,15H2