5-[6-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylazanium

Systemtic Name: 5-[6-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylazanium Openeye Name: 5-[6-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylammonium CAS Name: 5-[6-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylammonium IUPAC Name: 5-[6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylazanium Traditional Name: 5-[6-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentylammonium Formula: C18H25N6OS2+ MolecularWeight: 405.5607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN3C(=NN=C3S2)CCCCC[NH3+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN3C(=NN=C3S2)CCCCC[NH3+]

InChI

InChI=1S/C18H24N6OS2/c1-12-7-6-8-13(2)16(12)20-15(25)11-26-18-23-24-14(9-4-3-5-10-19)21-22-17(24)27-18/h6-8H,3-5,9-11,19H2,1-2H3,(H,20,25)/p+1