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

Systemtic Name: ethyl 4-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C16H19N5O3S/c1-2-24-15(23)11-5-7-12(8-6-11)18-13(22)9-25-16-20-19-14(21(16)17)10-3-4-10/h5-8,10H,2-4,9,17H2,1H3,(H,18,22)