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

Systemtic Name: 2-[[5-cyclohexyl-4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclohexyl-4-[(Z)-1-naphthylmethyleneamino]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-4-[(Z)-1-naphthalenylmethylideneamino]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclohexyl-4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclohexyl-4-[(Z)-1-naphthylmethyleneamino]-1,2,4-triazol-3-yl]thio]acetate Formula: C21H21N4O2S- MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N=CC3=CC=CC4=CC=CC=C43)SCC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2/N=C\C3=CC=CC4=CC=CC=C43)SCC(=O)[O-]

InChI

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