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

Systemtic Name: [4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thenyl)ammonium Formula: C17H22N5OS2+ MolecularWeight: 376.51948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

Isomeric SMILES

C[NH+](CC1=CSC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

InChI

InChI=1S/C17H21N5OS2/c1-20(11-14-5-10-25-12-14)13-22-17(24)21(8-9-23-2)16(19-22)15-3-6-18-7-4-15/h3-7,10,12H,8-9,11,13H2,1-2H3/p+1