2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-iodanylphenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-iodanylphenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-iodophenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-iodophenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-iodophenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-iodophenyl)acrylonitrile Formula: C16H9IN2S2 MolecularWeight: 420.29053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9IN2S2/c17-12-5-3-4-11(8-12)9-13(10-18)20-16-19-14-6-1-2-7-15(14)21-16/h1-9H