butyl 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C21H26N4O3S/c1-2-3-12-28-20(27)15-6-8-16(9-7-15)22-18(26)13-29-21-24-23-19(14-4-5-14)25(21)17-10-11-17/h6-9,14,17H,2-5,10-13H2,1H3,(H,22,26)