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

Systemtic Name: butyl 3-[2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 3-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C

InChI

InChI=1S/C16H21N5O3S/c1-3-4-8-24-15(23)12-6-5-7-13(9-12)18-14(22)10-25-16-20-19-11(2)21(16)17/h5-7,9H,3-4,8,10,17H2,1-2H3,(H,18,22)