5-isoquinolin-5-ylsulfanyl-2-methyl-6-nitro-1,3-benzothiazole

Systemtic Name: 5-isoquinolin-5-ylsulfanyl-2-methyl-6-nitro-1,3-benzothiazole Openeye Name: 5-(5-isoquinolylsulfanyl)-2-methyl-6-nitro-1,3-benzothiazole CAS Name: 5-(5-isoquinolinylthio)-2-methyl-6-nitro-1,3-benzothiazole IUPAC Name: 5-isoquinolin-5-ylsulfanyl-2-methyl-6-nitro-1,3-benzothiazole Traditional Name: 5-(5-isoquinolylthio)-2-methyl-6-nitro-1,3-benzothiazole Formula: C17H11N3O2S2 MolecularWeight: 353.41814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])SC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])SC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C17H11N3O2S2/c1-10-19-13-7-17(14(20(21)22)8-16(13)23-10)24-15-4-2-3-11-9-18-6-5-12(11)15/h2-9H,1H3