ethyl 4-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H28N6O4S MolecularWeight: 448.53912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2CCCOC)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2CCCOC)C3=CC=NC=C3

InChI

InChI=1S/C20H28N6O4S/c1-3-30-20(28)25-12-10-24(11-13-25)17(27)15-31-19-23-22-18(16-5-7-21-8-6-16)26(19)9-4-14-29-2/h5-8H,3-4,9-15H2,1-2H3