(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H11N5O3S MolecularWeight: 353.35524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=NC(=NO2)C3=CSC=C3)N4C=NC=N4

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=NC(=NO2)C3=CSC=C3)N4C=NC=N4

InChI

InChI=1S/C16H11N5O3S/c22-16(11-1-3-13(4-2-11)21-10-17-9-18-21)23-7-14-19-15(20-24-14)12-5-6-25-8-12/h1-6,8-10H,7H2