5-(isoquinolin-1-ylmethylsulfonyl)-1,2,4-thiadiazole

Systemtic Name: 5-(isoquinolin-1-ylmethylsulfonyl)-1,2,4-thiadiazole Openeye Name: 5-(1-isoquinolylmethylsulfonyl)-1,2,4-thiadiazole CAS Name: 5-(1-isoquinolinylmethylsulfonyl)-1,2,4-thiadiazole IUPAC Name: 5-(isoquinolin-1-ylmethylsulfonyl)-1,2,4-thiadiazole Traditional Name: 5-(1-isoquinolylmethylsulfonyl)-1,2,4-thiadiazole Formula: C12H9N3O2S2 MolecularWeight: 291.34876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CS(=O)(=O)C3=NC=NS3

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CS(=O)(=O)C3=NC=NS3

InChI

InChI=1S/C12H9N3O2S2/c16-19(17,12-14-8-15-18-12)7-11-10-4-2-1-3-9(10)5-6-13-11/h1-6,8H,7H2