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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[[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+](CC1=C(C=CC(=C1)Cl)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

InChI

InChI=1S/C20H22ClN5OS/c1-24(12-15-11-16(21)3-6-18(15)27-2)13-25-20(28)26(17-4-5-17)19(23-25)14-7-9-22-10-8-14/h3,6-11,17H,4-5,12-13H2,1-2H3/p+1