(E)-2-(1,3-benzothiazol-2-yl)-3-(4-bromanyl-3-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-bromanyl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-bromo-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-bromo-3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-bromo-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-bromo-3-nitro-phenyl)acrylonitrile Formula: C16H8BrN3O2S MolecularWeight: 386.22262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=C(C=C3)Br)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=C(C=C3)Br)[N+](=O)[O-])/C#N

InChI

InChI=1S/C16H8BrN3O2S/c17-12-6-5-10(8-14(12)20(21)22)7-11(9-18)16-19-13-3-1-2-4-15(13)23-16/h1-8H/b11-7+