5-(1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-4-propan-2-yl-3H-1,3-benzothiazol-2-one

Systemtic Name: 5-(1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-4-propan-2-yl-3H-1,3-benzothiazol-2-one Openeye Name: 4-isopropyl-5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one CAS Name: 5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-4-propan-2-yl-3H-1,3-benzothiazol-2-one IUPAC Name: 5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-4-propan-2-yl-3H-1,3-benzothiazol-2-one Traditional Name: 4-isopropyl-5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC2=C1NC(=O)S2)N3N=C4CCCCC4=[N+]3[O-]

Isomeric SMILES

CC(C)C1=C(C=CC2=C1NC(=O)S2)N3N=C4CCCCC4=[N+]3[O-]

InChI

InChI=1S/C16H18N4O2S/c1-9(2)14-12(7-8-13-15(14)17-16(21)23-13)19-18-10-5-3-4-6-11(10)20(19)22/h7-9H,3-6H2,1-2H3,(H,17,21)