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

Systemtic Name: (4-ethoxyphenyl)methyl-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-ethoxyphenyl)methyl-methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4-ethoxyphenyl)methyl-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-ethoxybenzyl)-methyl-ammonium Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c1-4-13-25-20(18-7-6-12-22-14-18)23-26(21(25)28)16-24(3)15-17-8-10-19(11-9-17)27-5-2/h4,6-12,14H,1,5,13,15-16H2,2-3H3/p+1