S-[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl] ethanethioate

Systemtic Name: S-[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl] ethanethioate Openeye Name: S-[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl] ethanethioate CAS Name: ethanethioic acid S-[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl] ester IUPAC Name: S-[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl] ester Formula: C16H15ClN2OS MolecularWeight: 318.8211

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NC(=C2CCCCC2=N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)SC1=NC(=C2CCCCC2=N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN2OS/c1-10(20)21-16-18-14-5-3-2-4-13(14)15(19-16)11-6-8-12(17)9-7-11/h6-9H,2-5H2,1H3