[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(phenylmethyl)azanium

Systemtic Name: [4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: [4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: dibenzyl-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C25H28N5OS+ MolecularWeight: 446.58772

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN(C1=S)C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

COCCN1C(=NN(C1=S)C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H27N5OS/c1-31-17-16-29-24(23-12-14-26-15-13-23)27-30(25(29)32)20-28(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22/h2-15H,16-20H2,1H3/p+1