3-(4-chlorophenyl)-2-ethyl-isoquinoline-1-thione

Systemtic Name: 3-(4-chlorophenyl)-2-ethyl-isoquinoline-1-thione Openeye Name: 3-(4-chlorophenyl)-2-ethyl-isoquinoline-1-thione CAS Name: 3-(4-chlorophenyl)-2-ethyl-1-isoquinolinethione IUPAC Name: 3-(4-chlorophenyl)-2-ethylisoquinoline-1-thione Traditional Name: 3-(4-chlorophenyl)-2-ethyl-isoquinoline-1-thione Formula: C17H14ClNS MolecularWeight: 299.81776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=CC=CC=C2C1=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=CC2=CC=CC=C2C1=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClNS/c1-2-19-16(12-7-9-14(18)10-8-12)11-13-5-3-4-6-15(13)17(19)20/h3-11H,2H2,1H3