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

Systemtic Name: (4-chlorophenyl)methyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (4-chlorophenyl)methyl-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-chlorophenyl)methyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (4-chlorophenyl)methyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (4-chlorobenzyl)-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C19H21ClN5S+ MolecularWeight: 386.92154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5S/c1-23(12-14-2-4-16(20)5-3-14)13-24-19(26)25(17-6-7-17)18(22-24)15-8-10-21-11-9-15/h2-5,8-11,17H,6-7,12-13H2,1H3/p+1