ethyl 4-[[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-methyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-methyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C

InChI

InChI=1S/C18H25N5O3S/c1-3-25-18(24)22-11-9-21(10-12-22)14-23-17(27)20(2)16(19-23)13-26-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3