[4-(3-ethoxypropyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-dipropyl-azanium

Systemtic Name: [4-(3-ethoxypropyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-dipropyl-azanium Openeye Name: [4-(3-ethoxypropyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-dipropyl-ammonium CAS Name: [4-(3-ethoxypropyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-dipropylammonium IUPAC Name: [4-(3-ethoxypropyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-dipropylazanium Traditional Name: [4-(3-ethoxypropyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-dipropyl-ammonium Formula: C19H32N5OS+ MolecularWeight: 378.55528

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CN1C(=S)N(C(=N1)C2=CC=NC=C2)CCCOCC

Isomeric SMILES

CCC[NH+](CCC)CN1C(=S)N(C(=N1)C2=CC=NC=C2)CCCOCC

InChI

InChI=1S/C19H31N5OS/c1-4-12-22(13-5-2)16-24-19(26)23(14-7-15-25-6-3)18(21-24)17-8-10-20-11-9-17/h8-11H,4-7,12-16H2,1-3H3/p+1