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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)Br)C#N

InChI

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