(4-ethoxyphenyl) 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (4-ethoxyphenyl) 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (4-ethoxyphenyl) 2-[[5-(3-amino-3-oxo-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-amino-3-keto-propyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid p-phenetyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC(=O)CSC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)OC(=O)CSC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C16H20N4O4S/c1-3-23-11-4-6-12(7-5-11)24-15(22)10-25-16-19-18-14(20(16)2)9-8-13(17)21/h4-7H,3,8-10H2,1-2H3,(H2,17,21)