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

Systemtic Name: 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-(ethylthio)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-(ethylthio)-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C18H18N2S2 MolecularWeight: 326.47892

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C18H18N2S2/c1-2-21-17-15-13-10-6-7-11-14(13)22-18(15)20-16(19-17)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3