2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-bromophenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-bromophenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-bromophenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-bromophenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-bromophenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-bromophenyl)acrylonitrile Formula: C16H9BrN2S2 MolecularWeight: 373.29006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9BrN2S2/c17-12-7-5-11(6-8-12)9-13(10-18)20-16-19-14-3-1-2-4-15(14)21-16/h1-9H