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

Systemtic Name: [5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [5-(4-methoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [5-(4-methoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C21H22N5O2S+ MolecularWeight: 408.49668

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=S)OC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=S)OC(=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H21N5O2S/c1-24(13-16-12-22-25(14-16)18-6-4-3-5-7-18)15-26-21(29)28-20(23-26)17-8-10-19(27-2)11-9-17/h3-12,14H,13,15H2,1-2H3/p+1