methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-methyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-methyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OCC=C)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OCC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-4-14-26-19-12-10-17(11-13-19)15-23(2)16-25-21(27)24(3)20(22-25)18-8-6-5-7-9-18/h4-13H,1,14-16H2,2-3H3/p+1