(E)-3-(3,4-dichlorophenyl)-1-(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dichlorophenyl)-1-(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dichlorophenyl)-1-[3-nitro-4-(2-pyridylsulfanyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3,4-dichlorophenyl)-1-[3-nitro-4-(2-pyridinylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dichlorophenyl)-1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dichlorophenyl)-1-[3-nitro-4-(2-pyridylthio)phenyl]prop-2-en-1-one Formula: C20H12Cl2N2O3S MolecularWeight: 431.29188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=C(C=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)SC2=C(C=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H12Cl2N2O3S/c21-15-7-4-13(11-16(15)22)5-8-18(25)14-6-9-19(17(12-14)24(26)27)28-20-3-1-2-10-23-20/h1-12H/b8-5+