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

Systemtic Name: ethyl 4-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C

InChI

InChI=1S/C22H25N5O4S/c1-3-30-22(29)26-12-10-25(11-13-26)19(28)15-32-21-24-23-20(18-9-14-31-16(18)2)27(21)17-7-5-4-6-8-17/h4-9,14H,3,10-13,15H2,1-2H3