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

Systemtic Name: 2-[[5-cyclohexyl-4-[(Z)-naphthalen-2-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclohexyl-4-[(Z)-2-naphthylmethyleneamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclohexyl-4-[(Z)-2-naphthalenylmethylideneamino]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclohexyl-4-[(Z)-naphthalen-2-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclohexyl-4-[(Z)-2-naphthylmethyleneamino]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N=CC3=CC4=CC=CC=C4C=C3)SCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2/N=C\C3=CC4=CC=CC=C4C=C3)SCC(=O)O

InChI

InChI=1S/C21H22N4O2S/c26-19(27)14-28-21-24-23-20(17-7-2-1-3-8-17)25(21)22-13-15-10-11-16-6-4-5-9-18(16)12-15/h4-6,9-13,17H,1-3,7-8,14H2,(H,26,27)/b22-13-