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

Systemtic Name: butyl 4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3CC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3CC3

InChI

InChI=1S/C20H26N4O3S/c1-3-5-12-27-19(26)15-8-10-16(11-9-15)21-17(25)13-28-20-23-22-18(14-6-7-14)24(20)4-2/h8-11,14H,3-7,12-13H2,1-2H3,(H,21,25)