(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-propan-2-yl-azanium

Systemtic Name: (3-methyl-2-sulfanylidene-imidazol-1-yl)methyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-propan-2-yl-azanium Openeye Name: isopropyl-[(3-methyl-2-thioxo-imidazol-1-yl)methyl]-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: (3-methyl-2-sulfanylidene-1-imidazolyl)methyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-propan-2-ylammonium IUPAC Name: (3-methyl-2-sulfanylideneimidazol-1-yl)methyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-propan-2-ylazanium Traditional Name: isopropyl-[(3-methyl-2-thioxo-4-imidazolin-1-yl)methyl]-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium Formula: C17H21N6O3S+ MolecularWeight: 389.45204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])CN3C=CN(C3=S)C

Isomeric SMILES

CC(C)[NH+](CC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])CN3C=CN(C3=S)C

InChI

InChI=1S/C17H20N6O3S/c1-12(2)22(11-21-8-7-20(3)17(21)27)10-15-18-19-16(26-15)13-5-4-6-14(9-13)23(24)25/h4-9,12H,10-11H2,1-3H3/p+1