(E)-2-(1,3-benzothiazol-2-yl)-3-(3-iodanylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-iodanylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-iodophenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-iodophenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-iodophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-iodophenyl)acrylonitrile Formula: C16H9IN2S MolecularWeight: 388.22553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9IN2S/c17-13-5-3-4-11(9-13)8-12(10-18)16-19-14-6-1-2-7-15(14)20-16/h1-9H/b12-8+