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

Systemtic Name: (4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methylphenyl)methyl]-propyl-azanium Openeye Name: [4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-propyl-(p-tolylmethyl)ammonium CAS Name: [4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methylphenyl)methyl]-propylammonium IUPAC Name: (4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methylphenyl)methyl]-propylazanium Traditional Name: [4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-methylbenzyl)-propyl-ammonium Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5S/c1-3-13-25(15-18-8-6-17(2)7-9-18)16-26-22(28)27(20-10-11-20)21(24-26)19-5-4-12-23-14-19/h4-9,12,14,20H,3,10-11,13,15-16H2,1-2H3/p+1