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

Systemtic Name: 2-methyl-4-phenylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 2-methyl-4-phenylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 2-methyl-4-(phenylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 2-methyl-4-phenylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 2-methyl-4-(phenylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C17H16N2S2 MolecularWeight: 312.45234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2S2/c1-11-18-16(20-12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)21-17(15)19-11/h2-4,7-8H,5-6,9-10H2,1H3