tert-butyl 2-[4-[(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(3-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=NNC(=S)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C

InChI

InChI=1S/C24H29N3O2S/c1-5-6-11-21-25-26-23(30)27(21)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)22(28)29-24(2,3)4/h7-10,12-15H,5-6,11,16H2,1-4H3,(H,26,30)