2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidine

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidine Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-[(E)-2-(4-nitrophenyl)vinyl]pyrimidine CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-4-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidine IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidine Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-4-methyl-6-[(E)-2-(4-nitrophenyl)vinyl]pyrimidine Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=CC(=N2)C)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=CC(=N2)C)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O2S/c1-15-4-5-16(2)19(12-15)14-28-22-23-17(3)13-20(24-22)9-6-18-7-10-21(11-8-18)25(26)27/h4-13H,14H2,1-3H3/b9-6+