5-(3-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(3-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C18H17N4O3S+ MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)OC(=N3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)OC(=N3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c23-22(24)16-7-3-6-14(10-16)17-19-21(18(26)25-17)12-20-9-8-13-4-1-2-5-15(13)11-20/h1-7,10H,8-9,11-12H2/p+1