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

Systemtic Name: methyl 4-[2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S/c1-3-4-5-13-19-20-16(21(13)17)25-10-14(22)18-12-8-6-11(7-9-12)15(23)24-2/h6-9H,3-5,10,17H2,1-2H3,(H,18,22)