ethyl 4-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C20H27N5O3S/c1-3-28-20(27)24-13-11-23(12-14-24)18(26)10-7-15-29-19-22-21-16(2)25(19)17-8-5-4-6-9-17/h4-6,8-9H,3,7,10-15H2,1-2H3