(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate CAS Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C19H15N5O3S/c25-18(15-8-6-13(7-9-15)11-28-19-20-12-21-24-19)26-10-16-22-23-17(27-16)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21,24)