[3,4-bis(sulfanylmethyl)isoquinolin-6-yl]methanethiol

Systemtic Name: [3,4-bis(sulfanylmethyl)isoquinolin-6-yl]methanethiol Openeye Name: [3,4-bis(sulfanylmethyl)-6-isoquinolyl]methanethiol CAS Name: [3,4-bis(mercaptomethyl)-6-isoquinolinyl]methanethiol IUPAC Name: [3,4-bis(sulfanylmethyl)isoquinolin-6-yl]methanethiol Traditional Name: [3,4-bis(mercaptomethyl)-6-isoquinolyl]methanethiol Formula: C12H13NS3 MolecularWeight: 267.43332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN=C(C(=C2C=C1CS)CS)CS

Isomeric SMILES

C1=CC2=CN=C(C(=C2C=C1CS)CS)CS

InChI

InChI=1S/C12H13NS3/c14-5-8-1-2-9-4-13-12(7-16)11(6-15)10(9)3-8/h1-4,14-16H,5-7H2