(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-bromo-4-nitro-phenyl)-2-furyl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-bromo-4-nitrophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-bromo-4-nitro-phenyl)-2-furyl]acrylonitrile Formula: C20H10BrN3O3S MolecularWeight: 452.2807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)/C#N

InChI

InChI=1S/C20H10BrN3O3S/c21-16-10-13(24(25)26)5-7-15(16)18-8-6-14(27-18)9-12(11-22)20-23-17-3-1-2-4-19(17)28-20/h1-10H/b12-9+