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

Systemtic Name: cyanomethyl 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyanomethyl 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid cyanomethyl ester Formula: C15H13ClN4O2S MolecularWeight: 348.80732

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)OCC#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)OCC#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H13ClN4O2S/c1-2-8-20-14(11-3-5-12(16)6-4-11)18-19-15(20)23-10-13(21)22-9-7-17/h2-6H,1,8-10H2