ethyl 4-[2-[(1-azanyl-1,2,4-triazol-3-yl)sulfanyl]butanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(1-azanyl-1,2,4-triazol-3-yl)sulfanyl]butanoylamino]benzoate Openeye Name: ethyl 4-[2-[(1-amino-1,2,4-triazol-3-yl)sulfanyl]butanoylamino]benzoate CAS Name: 4-[[2-[(1-amino-1,2,4-triazol-3-yl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(1-amino-1,2,4-triazol-3-yl)sulfanyl]butanoylamino]benzoate Traditional Name: 4-[2-[(1-amino-1,2,4-triazol-3-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NN(C=N2)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NN(C=N2)N

InChI

InChI=1S/C15H19N5O3S/c1-3-12(24-15-17-9-20(16)19-15)13(21)18-11-7-5-10(6-8-11)14(22)23-4-2/h5-9,12H,3-4,16H2,1-2H3,(H,18,21)