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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (5-chloro-2-methoxy-benzyl)-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C20H25ClN5OS+ MolecularWeight: 418.9634

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)C3=CC=NC=C3

InChI

InChI=1S/C20H24ClN5OS/c1-4-11-25-19(15-7-9-22-10-8-15)23-26(20(25)28)14-24(2)13-16-12-17(21)5-6-18(16)27-3/h5-10,12H,4,11,13-14H2,1-3H3/p+1