4-chloranyl-2-[(4-methylphenyl)methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidine

Systemtic Name: 4-chloranyl-2-[(4-methylphenyl)methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidine Openeye Name: 4-chloro-2-(p-tolylmethylsulfanyl)benzothiopheno[3,2-d]pyrimidine CAS Name: 4-chloro-2-[(4-methylphenyl)methylthio]-[1]benzothiolo[3,2-d]pyrimidine IUPAC Name: 4-chloro-2-[(4-methylphenyl)methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidine Traditional Name: 4-chloro-2-[(4-methylbenzyl)thio]benzothiopheno[3,2-d]pyrimidine Formula: C18H13ClN2S2 MolecularWeight: 356.89222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)Cl)SC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)Cl)SC4=CC=CC=C43

InChI

InChI=1S/C18H13ClN2S2/c1-11-6-8-12(9-7-11)10-22-18-20-15-13-4-2-3-5-14(13)23-16(15)17(19)21-18/h2-9H,10H2,1H3