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

Systemtic Name: 3-[3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[3-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-[[2-(4-ethylanilino)-2-oxoethyl]thio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethylammonium IUPAC Name: 3-[3-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethylazanium Traditional Name: 3-[3-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium Formula: C22H29N6OS+ MolecularWeight: 425.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCC[NH+](C)C)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCC[NH+](C)C)C3=CC=NC=C3

InChI

InChI=1S/C22H28N6OS/c1-4-17-6-8-19(9-7-17)24-20(29)16-30-22-26-25-21(18-10-12-23-13-11-18)28(22)15-5-14-27(2)3/h6-13H,4-5,14-16H2,1-3H3,(H,24,29)/p+1