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

Systemtic Name: [4-(3-chloranyl-2-methyl-phenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclohexyl-ethyl-azanium Openeye Name: [4-(3-chloro-2-methyl-phenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclohexyl-ethyl-ammonium CAS Name: [4-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclohexyl-ethylammonium IUPAC Name: [4-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclohexyl-ethylazanium Traditional Name: [4-(3-chloro-2-methyl-phenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclohexyl-ethyl-ammonium Formula: C23H29ClN5S+ MolecularWeight: 443.02786

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=C(C(=CC=C3)Cl)C)C4CCCCC4

Isomeric SMILES

CC[NH+](CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=C(C(=CC=C3)Cl)C)C4CCCCC4

InChI

InChI=1S/C23H28ClN5S/c1-3-27(19-8-5-4-6-9-19)16-28-23(30)29(21-11-7-10-20(24)17(21)2)22(26-28)18-12-14-25-15-13-18/h7,10-15,19H,3-6,8-9,16H2,1-2H3/p+1