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

Systemtic Name: methyl-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[5-(3-nitrophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: methyl-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Traditional Name: benzyl-methyl-[[5-(3-nitrophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium Formula: C17H17N4O3S+ MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-19(11-13-6-3-2-4-7-13)12-20-17(25)24-16(18-20)14-8-5-9-15(10-14)21(22)23/h2-10H,11-12H2,1H3/p+1