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

Systemtic Name: ethyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: ethyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: benzyl-ethyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C18H22N5S+ MolecularWeight: 340.46578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5S/c1-3-22(13-15-7-5-4-6-8-15)14-23-18(24)21(2)17(20-23)16-9-11-19-12-10-16/h4-12H,3,13-14H2,1-2H3/p+1