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

Systemtic Name: ethyl 4-[4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]butyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H27N5O3S2/c1-2-31-23(30)27-14-12-26(13-15-27)20(29)11-7-17-33-22-25-24-21(19-10-6-16-32-19)28(22)18-8-4-3-5-9-18/h3-6,8-10,16H,2,7,11-15,17H2,1H3