dimethyl-[3-[3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]azanium Openeye Name: 3-[3-(2-anilino-2-oxo-ethyl)sulfanyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-[(2-anilino-2-oxoethyl)thio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethylammonium IUPAC Name: 3-[3-(2-anilino-2-oxoethyl)sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethylazanium Traditional Name: 3-[3-[(2-anilino-2-keto-ethyl)thio]-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium Formula: C20H25N6OS+ MolecularWeight: 397.5171

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

C[NH+](C)CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H24N6OS/c1-25(2)13-6-14-26-19(16-9-11-21-12-10-16)23-24-20(26)28-15-18(27)22-17-7-4-3-5-8-17/h3-5,7-12H,6,13-15H2,1-2H3,(H,22,27)/p+1