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

Systemtic Name: [4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-di(propan-2-yl)azanium Openeye Name: [4-(4-chlorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-diisopropyl-ammonium CAS Name: [4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-di(propan-2-yl)ammonium IUPAC Name: [4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-di(propan-2-yl)azanium Traditional Name: [4-(4-chlorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-diisopropyl-ammonium Formula: C20H25ClN5S+ MolecularWeight: 402.964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)Cl)C(C)C

Isomeric SMILES

CC(C)[NH+](CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)Cl)C(C)C

InChI

InChI=1S/C20H24ClN5S/c1-14(2)24(15(3)4)13-25-20(27)26(18-7-5-17(21)6-8-18)19(23-25)16-9-11-22-12-10-16/h5-12,14-15H,13H2,1-4H3/p+1