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

Systemtic Name: ethyl 2-[[5-(5-chloranyl-2-methoxy-phenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-allyl-5-(5-chloro-2-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(5-chloro-2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(5-chloro-2-methoxy-phenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC=C)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC=C)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C16H18ClN3O3S/c1-4-8-20-15(12-9-11(17)6-7-13(12)22-3)18-19-16(20)24-10-14(21)23-5-2/h4,6-7,9H,1,5,8,10H2,2-3H3