2-[[5-cyclohexyl-4-[(Z)-quinoxalin-2-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-cyclohexyl-4-[(Z)-quinoxalin-2-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclohexyl-4-[(Z)-quinoxalin-2-ylmethyleneamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclohexyl-4-[(Z)-2-quinoxalinylmethylideneamino]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclohexyl-4-[(Z)-quinoxalin-2-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclohexyl-4-[(Z)-quinoxalin-2-ylmethyleneamino]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N=CC3=NC4=CC=CC=C4N=C3)SCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2/N=C\C3=NC4=CC=CC=C4N=C3)SCC(=O)O

InChI

InChI=1S/C19H20N6O2S/c26-17(27)12-28-19-24-23-18(13-6-2-1-3-7-13)25(19)21-11-14-10-20-15-8-4-5-9-16(15)22-14/h4-5,8-11,13H,1-3,6-7,12H2,(H,26,27)/b21-11-