2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromanyl-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromanyl-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-benzyloxy-3-bromo-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-benzoxy-3-bromo-phenyl)acrylonitrile Formula: C23H15BrN2OS2 MolecularWeight: 479.412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)SC3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)SC3=NC4=CC=CC=C4S3)Br

InChI

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