(3-phenylisoquinolin-4-yl)methanethiol

Systemtic Name: (3-phenylisoquinolin-4-yl)methanethiol Openeye Name: (3-phenyl-4-isoquinolyl)methanethiol CAS Name: (3-phenyl-4-isoquinolinyl)methanethiol IUPAC Name: (3-phenylisoquinolin-4-yl)methanethiol Traditional Name: (3-phenyl-4-isoquinolyl)methanethiol Formula: C16H13NS MolecularWeight: 251.34612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)CS

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)CS

InChI

InChI=1S/C16H13NS/c18-11-15-14-9-5-4-8-13(14)10-17-16(15)12-6-2-1-3-7-12/h1-10,18H,11H2