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

Systemtic Name: 2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl cyclopropanecarboxylate Openeye Name: 2-[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid 2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl ester IUPAC Name: 2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid 2-[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CCOC(=O)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CCOC(=O)C3CC3

InChI

InChI=1S/C15H17N3O3S/c1-20-12-6-4-10(5-7-12)13-16-15(22)18(17-13)8-9-21-14(19)11-2-3-11/h4-7,11H,2-3,8-9H2,1H3,(H,16,17,22)