2-[(3-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-5,6,7,8-tetrahydroquinazolin-4-olate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-5,6,7,8-tetrahydroquinazolin-4-olate Formula: C15H14ClN2OS- MolecularWeight: 305.80246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C15H15ClN2OS/c16-11-5-3-4-10(8-11)9-20-15-17-13-7-2-1-6-12(13)14(19)18-15/h3-5,8H,1-2,6-7,9H2,(H,17,18,19)/p-1