2-[[5-(carbazol-9-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(carbazol-9-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(carbazol-9-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(9-carbazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(carbazol-9-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(carbazol-9-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)CN2C3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)CN2C3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C18H16N4O2S/c1-21-16(19-20-18(21)25-11-17(23)24)10-22-14-8-4-2-6-12(14)13-7-3-5-9-15(13)22/h2-9H,10-11H2,1H3,(H,23,24)