5-(isoquinolin-1-ylmethylsulfonyl)-1,2,4-thiadiazol-3-amine

Systemtic Name: 5-(isoquinolin-1-ylmethylsulfonyl)-1,2,4-thiadiazol-3-amine Openeye Name: 5-(1-isoquinolylmethylsulfonyl)-1,2,4-thiadiazol-3-amine CAS Name: 5-(1-isoquinolinylmethylsulfonyl)-1,2,4-thiadiazol-3-amine IUPAC Name: 5-(isoquinolin-1-ylmethylsulfonyl)-1,2,4-thiadiazol-3-amine Traditional Name: [5-(1-isoquinolylmethylsulfonyl)-1,2,4-thiadiazol-3-yl]amine Formula: C12H10N4O2S2 MolecularWeight: 306.3634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O2S2/c13-11-15-12(19-16-11)20(17,18)7-10-9-4-2-1-3-8(9)5-6-14-10/h1-6H,7H2,(H2,13,16)