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

Systemtic Name: 4-[(4-methylphenyl)methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidine Openeye Name: 4-(p-tolylmethylsulfanyl)benzothiopheno[3,2-d]pyrimidine CAS Name: 4-[(4-methylphenyl)methylthio]-[1]benzothiolo[3,2-d]pyrimidine IUPAC Name: 4-[(4-methylphenyl)methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidine Traditional Name: 4-[(4-methylbenzyl)thio]benzothiopheno[3,2-d]pyrimidine Formula: C18H14N2S2 MolecularWeight: 322.44716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=NC3=C2SC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=NC3=C2SC4=CC=CC=C43

InChI

InChI=1S/C18H14N2S2/c1-12-6-8-13(9-7-12)10-21-18-17-16(19-11-20-18)14-4-2-3-5-15(14)22-17/h2-9,11H,10H2,1H3