5-(isoquinolin-1-ylmethylsulfonyl)-3-methoxy-1,2,4-thiadiazole

Systemtic Name: 5-(isoquinolin-1-ylmethylsulfonyl)-3-methoxy-1,2,4-thiadiazole Openeye Name: 5-(1-isoquinolylmethylsulfonyl)-3-methoxy-1,2,4-thiadiazole CAS Name: 5-(1-isoquinolinylmethylsulfonyl)-3-methoxy-1,2,4-thiadiazole IUPAC Name: 5-(isoquinolin-1-ylmethylsulfonyl)-3-methoxy-1,2,4-thiadiazole Traditional Name: 5-(1-isoquinolylmethylsulfonyl)-3-methoxy-1,2,4-thiadiazole Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NSC(=N1)S(=O)(=O)CC2=NC=CC3=CC=CC=C32

Isomeric SMILES

COC1=NSC(=N1)S(=O)(=O)CC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C13H11N3O3S2/c1-19-12-15-13(20-16-12)21(17,18)8-11-10-5-3-2-4-9(10)6-7-14-11/h2-7H,8H2,1H3