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

Systemtic Name: ethyl 4-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]benzoate Openeye Name: ethyl 4-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]benzoate CAS Name: 4-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]benzoate Traditional Name: 4-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]butanoylamino]benzoic acid ethyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)N2C(=NN=C2SC)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)N2C(=NN=C2SC)N

InChI

InChI=1S/C16H21N5O3S/c1-4-12(21-15(17)19-20-16(21)25-3)13(22)18-11-8-6-10(7-9-11)14(23)24-5-2/h6-9,12H,4-5H2,1-3H3,(H2,17,19)(H,18,22)