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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-hydroxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4-hydroxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-hydroxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-bromo-4-hydroxy-phenyl)acrylonitrile Formula: C16H9BrN2OS2 MolecularWeight: 389.28946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9BrN2OS2/c17-12-8-10(5-6-14(12)20)7-11(9-18)21-16-19-13-3-1-2-4-15(13)22-16/h1-8,20H