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

Systemtic Name: [4-(3-chloranyl-2-methyl-phenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [4-(3-chloro-2-methyl-phenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-diisobutyl-ammonium CAS Name: [4-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [4-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [4-(3-chloro-2-methyl-phenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-diisobutyl-ammonium Formula: C23H31ClN5S+ MolecularWeight: 445.04374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN(C2=S)C[NH+](CC(C)C)CC(C)C)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN(C2=S)C[NH+](CC(C)C)CC(C)C)C3=CC=NC=C3

InChI

InChI=1S/C23H30ClN5S/c1-16(2)13-27(14-17(3)4)15-28-23(30)29(21-8-6-7-20(24)18(21)5)22(26-28)19-9-11-25-12-10-19/h6-12,16-17H,13-15H2,1-5H3/p+1