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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)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-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C17H13N5O3S/c23-17(13-3-1-12(2-4-13)7-22-11-18-10-19-22)24-8-15-20-16(21-25-15)14-5-6-26-9-14/h1-6,9-11H,7-8H2