[1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Openeye Name: [1-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone CAS Name: [1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [1-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Traditional Name: [1-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-3-27-23(20-7-5-4-6-8-20)25-28(24(27)31)17-26-15-13-19(14-16-26)22(29)18-9-11-21(30-2)12-10-18/h4-12,19H,3,13-17H2,1-2H3/p+1