ethyl 4-[[3-azanyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]methyl]benzoate

Systemtic Name: ethyl 4-[[3-azanyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]methyl]benzoate Openeye Name: ethyl 4-[[3-amino-5-(2-methoxy-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]methyl]benzoate CAS Name: 4-[[3-amino-5-[(2-methoxy-2-oxoethyl)thio]-1,2,4-triazol-4-yl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-amino-5-(2-methoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]methyl]benzoate Traditional Name: 4-[[3-amino-5-[(2-keto-2-methoxy-ethyl)thio]-1,2,4-triazol-4-yl]methyl]benzoic acid ethyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)OC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)OC)N

InChI

InChI=1S/C15H18N4O4S/c1-3-23-13(21)11-6-4-10(5-7-11)8-19-14(16)17-18-15(19)24-9-12(20)22-2/h4-7H,3,8-9H2,1-2H3,(H2,16,17)