(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-1-(10H-phenothiazin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-1-(10H-phenothiazin-2-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]-1-(10H-phenothiazin-2-yl)prop-2-en-1-one CAS Name: (E)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-1-(10H-phenothiazin-2-yl)-2-propen-1-one IUPAC Name: (E)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-1-(10H-phenothiazin-2-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-nitro-4-(p-tolylthio)phenyl]-1-(10H-phenothiazin-2-yl)prop-2-en-1-one Formula: C28H20N2O3S2 MolecularWeight: 496.6

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=CC(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C/C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C28H20N2O3S2/c1-18-6-11-21(12-7-18)34-28-14-9-19(16-24(28)30(32)33)8-13-25(31)20-10-15-27-23(17-20)29-22-4-2-3-5-26(22)35-27/h2-17,29H,1H3/b13-8+