tert-butyl 4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N5O3S/c1-14-6-5-7-15(12-14)17-21-22-18(29)25(17)13-16(26)23-8-10-24(11-9-23)19(27)28-20(2,3)4/h5-7,12H,8-11,13H2,1-4H3,(H,22,29)