(E)-3-[5-(4-methylphenyl)sulfanylfuran-2-yl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[5-(4-methylphenyl)sulfanylfuran-2-yl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-2-(3-nitrobenzoyl)-3-[5-(p-tolylsulfanyl)-2-furyl]prop-2-enenitrile CAS Name: (E)-3-[5-[(4-methylphenyl)thio]-2-furanyl]-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[5-(4-methylphenyl)sulfanylfuran-2-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-2-(3-nitrobenzoyl)-3-[5-(p-tolylthio)-2-furyl]acrylonitrile Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(O2)C=C(C#N)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(O2)/C=C(\C#N)/C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O4S/c1-14-5-8-19(9-6-14)28-20-10-7-18(27-20)12-16(13-22)21(24)15-3-2-4-17(11-15)23(25)26/h2-12H,1H3/b16-12+