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

Systemtic Name: methyl-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[5-(p-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: methyl-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Traditional Name: benzyl-methyl-[[5-(p-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c1-14-8-10-16(11-9-14)17-19-21(18(23)22-17)13-20(2)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3/p+1