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

Systemtic Name: ethyl 2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2Cl

InChI

InChI=1S/C15H16ClN3O2S/c1-3-9-19-14(11-7-5-6-8-12(11)16)17-18-15(19)22-10-13(20)21-4-2/h3,5-8H,1,4,9-10H2,2H3