ethyl 1-[[4-(4-chlorophenyl)-3-indol-3-ylidene-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[4-(4-chlorophenyl)-3-indol-3-ylidene-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-(4-chlorophenyl)-3-indol-3-ylidene-5-thioxo-1,2,4-triazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(4-chlorophenyl)-3-(3-indolylidene)-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(4-chlorophenyl)-3-indol-3-ylidene-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-(4-chlorophenyl)-3-indol-3-ylidene-5-thioxo-1,2,4-triazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H27ClN5O2S+ MolecularWeight: 497.03218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)N(C(=C3C=NC4=CC=CC=C43)N2)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)N(C(=C3C=NC4=CC=CC=C43)N2)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H26ClN5O2S/c1-2-33-24(32)17-11-13-29(14-12-17)16-30-25(34)31(19-9-7-18(26)8-10-19)23(28-30)21-15-27-22-6-4-3-5-20(21)22/h3-10,15,17,28H,2,11-14,16H2,1H3/p+1