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

Systemtic Name: 2-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-4-thiolate Openeye Name: 2-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-4-thiolate CAS Name: 2-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-4-thiolate IUPAC Name: 2-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-4-thiolate Traditional Name: 2-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-4-thiolate Formula: C18H17N2S2- MolecularWeight: 325.47098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CCC4=CC=CC=C4)[S-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CCC4=CC=CC=C4)[S-]

InChI

InChI=1S/C18H18N2S2/c21-17-16-13-8-4-5-9-14(13)22-18(16)20-15(19-17)11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,20,21)/p-1