(E)-3-(4-bromanyl-5-phenylsulfanyl-furan-2-yl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-bromanyl-5-phenylsulfanyl-furan-2-yl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-bromo-5-phenylsulfanyl-2-furyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-[4-bromo-5-(phenylthio)-2-furanyl]-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-bromo-5-phenylsulfanylfuran-2-yl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[4-bromo-5-(phenylthio)-2-furyl]-2-(3-nitrobenzoyl)acrylonitrile Formula: C20H11BrN2O4S MolecularWeight: 455.28134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(O2)C=C(C#N)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(O2)/C=C(\C#N)/C(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H11BrN2O4S/c21-18-11-16(27-20(18)28-17-7-2-1-3-8-17)10-14(12-22)19(24)13-5-4-6-15(9-13)23(25)26/h1-11H/b14-10+