cyclopentyl 2-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: cyclopentyl 2-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclopentyl 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclopentyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)OC2CCCC2)CNC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)OC2CCCC2)CNC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S/c1-2-12-23-17(13-20-15-8-4-3-5-9-15)21-22-19(23)26-14-18(24)25-16-10-6-7-11-16/h2-5,8-9,16,20H,1,6-7,10-14H2