(E)-2-(1,3-benzothiazol-2-yl)-3-[4-ethoxy-3,5-bis(iodanyl)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-ethoxy-3,5-bis(iodanyl)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-ethoxy-3,5-diiodo-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-ethoxy-3,5-diiodophenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-ethoxy-3,5-diiodo-phenyl)acrylonitrile Formula: C18H12I2N2OS MolecularWeight: 558.17462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1I)C=C(C#N)C2=NC3=CC=CC=C3S2)I

Isomeric SMILES

CCOC1=C(C=C(C=C1I)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)I

InChI

InChI=1S/C18H12I2N2OS/c1-2-23-17-13(19)8-11(9-14(17)20)7-12(10-21)18-22-15-5-3-4-6-16(15)24-18/h3-9H,2H2,1H3/b12-7+