2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-[(E)-2-pyridin-4-ylethenyl]pyrimidine

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-[(E)-2-pyridin-4-ylethenyl]pyrimidine Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-[(E)-2-(4-pyridyl)vinyl]pyrimidine CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-4-methyl-6-[(E)-2-pyridin-4-ylethenyl]pyrimidine IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-[(E)-2-pyridin-4-ylethenyl]pyrimidine Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-4-methyl-6-[(E)-2-(4-pyridyl)vinyl]pyrimidine Formula: C21H21N3S MolecularWeight: 347.47654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=CC(=N2)C)C=CC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=CC(=N2)C)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C21H21N3S/c1-15-4-5-16(2)19(12-15)14-25-21-23-17(3)13-20(24-21)7-6-18-8-10-22-11-9-18/h4-13H,14H2,1-3H3/b7-6+