(4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+](C)CC2=CC(=C(C=C2)OCC)OC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+](C)CC2=CC(=C(C=C2)OCC)OC)C3=CC=NC=C3

InChI

InChI=1S/C22H29N5O2S/c1-5-13-26-21(18-9-11-23-12-10-18)24-27(22(26)30)16-25(3)15-17-7-8-19(29-6-2)20(14-17)28-4/h7-12,14H,5-6,13,15-16H2,1-4H3/p+1