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

Systemtic Name: ethyl 4-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SC)N

InChI

InChI=1S/C14H17N5O3S/c1-3-22-12(21)9-4-6-10(7-5-9)16-11(20)8-19-13(15)17-18-14(19)23-2/h4-7H,3,8H2,1-2H3,(H2,15,17)(H,16,20)