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

Systemtic Name: ethyl 4-[2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C20H21N5O3S/c1-2-28-18(27)15-8-10-16(11-9-15)22-17(26)12-25-19(21)23-24-20(25)29-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H2,21,23)(H,22,26)