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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC2=CC=C(C=C2)C(=O)OC)N

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC2=CC=C(C=C2)C(=O)OC)N

InChI

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