2-methyl-4-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 2-methyl-4-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 2-methyl-4-(2-naphthylsulfanyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 2-methyl-4-(2-naphthalenylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 2-methyl-4-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 2-methyl-4-(2-naphthylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C21H18N2S2 MolecularWeight: 362.51102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H18N2S2/c1-13-22-20(19-17-8-4-5-9-18(17)25-21(19)23-13)24-16-11-10-14-6-2-3-7-15(14)12-16/h2-3,6-7,10-12H,4-5,8-9H2,1H3