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

Systemtic Name: 2-[5-(4-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 2-methylpropanoate Openeye Name: 2-[5-(4-chlorophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-[5-(4-chlorophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl ester Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O2S/c1-9(2)13(19)20-8-7-18-14(21)16-12(17-18)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,17,21)