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

Systemtic Name: [4-(3-chloranyl-2-methyl-phenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-(3-chloro-2-methyl-phenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium CAS Name: [4-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-ethylazanium Traditional Name: benzyl-[[4-(3-chloro-2-methyl-phenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium Formula: C24H25ClN5S+ MolecularWeight: 451.0068

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C24H24ClN5S/c1-3-28(16-19-8-5-4-6-9-19)17-29-24(31)30(22-11-7-10-21(25)18(22)2)23(27-29)20-12-14-26-15-13-20/h4-15H,3,16-17H2,1-2H3/p+1