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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C20H23ClN5OS+ MolecularWeight: 416.94752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Cl)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Cl)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

InChI

InChI=1S/C20H22ClN5OS/c1-24(12-13-27-18-6-2-16(21)3-7-18)14-25-20(28)26(17-4-5-17)19(23-25)15-8-10-22-11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/p+1