(5-chloranyl-2-methoxy-phenyl)methyl-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (5-chloro-2-methoxy-benzyl)-methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C18H21ClN5OS+ MolecularWeight: 390.91024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)C3=CC=NC=C3

InChI

InChI=1S/C18H20ClN5OS/c1-22(11-14-10-15(19)4-5-16(14)25-3)12-24-18(26)23(2)17(21-24)13-6-8-20-9-7-13/h4-10H,11-12H2,1-3H3/p+1