2-methyl-7-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]thioxanthen-9-one

Systemtic Name: 2-methyl-7-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]thioxanthen-9-one Openeye Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-7-methyl-thioxanthen-9-one CAS Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-7-methyl-9-thioxanthenone IUPAC Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-7-methylthioxanthen-9-one Traditional Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-7-methyl-thioxanthen-9-one Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C2=O)C=C(C=C3)NC(=C(C4=CC=CC=C4)NO)N=O

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C2=O)C=C(C=C3)N/C(=C(/C4=CC=CC=C4)\NO)/N=O

InChI

InChI=1S/C22H17N3O3S/c1-13-7-9-18-16(11-13)21(26)17-12-15(8-10-19(17)29-18)23-22(25-28)20(24-27)14-5-3-2-4-6-14/h2-12,23-24,27H,1H3/b22-20+