2-[[5-cyclohexyl-4-[(7-ethylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-cyclohexyl-4-[(7-ethylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclohexyl-4-[(7-ethylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclohexyl-4-[(7-ethyl-3-indolylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclohexyl-4-[(7-ethylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclohexyl-4-[(7-ethylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=CC2=CNN3C(=NN=C3SCC(=O)O)C4CCCCC4

Isomeric SMILES

CCC1=CC=CC2=C1N=CC2=CNN3C(=NN=C3SCC(=O)O)C4CCCCC4

InChI

InChI=1S/C21H25N5O2S/c1-2-14-9-6-10-17-16(11-22-19(14)17)12-23-26-20(15-7-4-3-5-8-15)24-25-21(26)29-13-18(27)28/h6,9-12,15,23H,2-5,7-8,13H2,1H3,(H,27,28)