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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O3S/c1-3-5-6-15-21-22-18(23(15)19)27-12-16(24)20-14-9-7-13(8-10-14)17(25)26-11-4-2/h7-10H,3-6,11-12,19H2,1-2H3,(H,20,24)