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

Systemtic Name: ethyl 4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3S/c1-3-26-18(25)23-11-9-22(10-12-23)15(24)13-27-17-20-19-16(21(17)2)14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3