cyclohexyl 2-[[4-methyl-5-(3-oxidanylidenenaphthalen-2-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: cyclohexyl 2-[[4-methyl-5-(3-oxidanylidenenaphthalen-2-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-methyl-5-(3-oxo-2-naphthylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(3-oxo-2-naphthalenylidene)-1H-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4-methyl-5-(3-oxonaphthalen-2-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-keto-2-naphthylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)OC4CCCCC4

Isomeric SMILES

CN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)OC4CCCCC4

InChI

InChI=1S/C21H23N3O3S/c1-24-20(17-11-14-7-5-6-8-15(14)12-18(17)25)22-23-21(24)28-13-19(26)27-16-9-3-2-4-10-16/h5-8,11-12,16,22H,2-4,9-10,13H2,1H3