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

Systemtic Name: butyl 3-[2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NC2=CC=CC(=C2)C(=O)OCCCC

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NC2=CC=CC(=C2)C(=O)OCCCC

InChI

InChI=1S/C19H27N5O3S/c1-3-5-10-16-22-23-19(24(16)20)28-13-17(25)21-15-9-7-8-14(12-15)18(26)27-11-6-4-2/h7-9,12H,3-6,10-11,13,20H2,1-2H3,(H,21,25)