tert-butyl 4-[[3-(2-methylfuran-3-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(2-methylfuran-3-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(2-methyl-3-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-(2-methyl-3-furanyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2-methylfuran-3-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(2-methyl-3-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H29N5O3S/c1-17-19(10-15-30-17)20-24-27(21(32)28(20)18-8-6-5-7-9-18)16-25-11-13-26(14-12-25)22(29)31-23(2,3)4/h5-10,15H,11-14,16H2,1-4H3