2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,5-dibromo-4-hydroxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3,5-dibromo-4-hydroxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3,5-dibromo-4-hydroxy-phenyl)acrylonitrile Formula: C16H8Br2N2OS2 MolecularWeight: 468.18552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H8Br2N2OS2/c17-11-6-9(7-12(18)15(11)21)5-10(8-19)22-16-20-13-3-1-2-4-14(13)23-16/h1-7,21H