(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: (4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: (4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: (4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-isopropylbenzyl)-methyl-ammonium Formula: C21H28N5S+ MolecularWeight: 382.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)C(C)C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)C(C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H27N5S/c1-5-25-20(19-10-12-22-13-11-19)23-26(21(25)27)15-24(4)14-17-6-8-18(9-7-17)16(2)3/h6-13,16H,5,14-15H2,1-4H3/p+1