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

Systemtic Name: 2-methylpropyl 4-[2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isobutyl 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid isobutyl ester Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C18H25N5O3S/c1-4-5-15-21-22-18(23(15)19)27-11-16(24)20-14-8-6-13(7-9-14)17(25)26-10-12(2)3/h6-9,12H,4-5,10-11,19H2,1-3H3,(H,20,24)