2-[5-(4-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl ethanoate

Systemtic Name: 2-[5-(4-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl ethanoate Openeye Name: 2-[5-(4-chlorophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl acetate CAS Name: acetic acid 2-[5-(4-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl ester IUPAC Name: 2-[5-(4-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl acetate Traditional Name: acetic acid 2-[5-(4-chlorophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl ester Formula: C12H12ClN3O2S MolecularWeight: 297.76058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=S)N=C(N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)OCCN1C(=S)N=C(N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClN3O2S/c1-8(17)18-7-6-16-12(19)14-11(15-16)9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3,(H,14,15,19)