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

Systemtic Name: (4-ethoxyphenyl)methyl-[[3-(4-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: [4-allyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-ethoxyphenyl)methyl-[[3-(4-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (4-ethoxyphenyl)methyl-[[3-(4-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: [4-allyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-ethoxybenzyl)-methyl-ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)CC=C

InChI

InChI=1S/C23H28N4O2S/c1-5-15-26-22(19-9-13-20(28-4)14-10-19)24-27(23(26)30)17-25(3)16-18-7-11-21(12-8-18)29-6-2/h5,7-14H,1,6,15-17H2,2-4H3/p+1