4-chloranyl-5-(4-methylphenyl)-2-pyridin-4-yl-1H-thieno[2,3-d]pyrimidin-3-ium

Systemtic Name: 4-chloranyl-5-(4-methylphenyl)-2-pyridin-4-yl-1H-thieno[2,3-d]pyrimidin-3-ium Openeye Name: 4-chloro-5-(p-tolyl)-2-(4-pyridyl)-1H-thieno[2,3-d]pyrimidin-3-ium CAS Name: 4-chloro-5-(4-methylphenyl)-2-pyridin-4-yl-1H-thieno[2,3-d]pyrimidin-3-ium IUPAC Name: 4-chloro-5-(4-methylphenyl)-2-pyridin-4-yl-1H-thieno[2,3-d]pyrimidin-3-ium Traditional Name: 4-chloro-5-(p-tolyl)-2-(4-pyridyl)-1H-thieno[2,3-d]pyrimidin-3-ium Formula: C18H13ClN3S+ MolecularWeight: 338.83392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=[N+]=C(N3)C4=CC=NC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=[N+]=C(N3)C4=CC=NC=C4)Cl

InChI

InChI=1S/C18H12ClN3S/c1-11-2-4-12(5-3-11)14-10-23-18-15(14)16(19)21-17(22-18)13-6-8-20-9-7-13/h2-10H,1H3/p+1