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

Systemtic Name: [4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: [4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-4-12-27-19-10-8-17(9-11-19)14-23(2)16-25-21(28)24(15-22-25)18-6-5-7-20(13-18)26-3/h4-11,13,15H,1,12,14,16H2,2-3H3/p+1