(4-chlorophenyl)methyl-[[4-(furan-2-ylmethyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: (4-chlorophenyl)methyl-[[4-(furan-2-ylmethyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: (4-chlorophenyl)methyl-[[4-(2-furylmethyl)-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-chlorophenyl)methyl-[[4-(2-furanylmethyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (4-chlorophenyl)methyl-[[4-(furan-2-ylmethyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: (4-chlorobenzyl)-[[4-(2-furfuryl)-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C21H21ClN5OS+ MolecularWeight: 426.94234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Cl)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CO4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Cl)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C21H20ClN5OS/c1-25(13-16-6-8-18(22)9-7-16)15-27-21(29)26(14-19-5-3-11-28-19)20(24-27)17-4-2-10-23-12-17/h2-12H,13-15H2,1H3/p+1