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

Systemtic Name: methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-(2-pyrrolidinobenzyl)ammonium Formula: C21H27N6S+ MolecularWeight: 395.54428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCC3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCC3)C4=CC=NC=C4

InChI

InChI=1S/C21H26N6S/c1-24(15-18-7-3-4-8-19(18)26-13-5-6-14-26)16-27-21(28)25(2)20(23-27)17-9-11-22-12-10-17/h3-4,7-12H,5-6,13-16H2,1-2H3/p+1