2-phenoxyethyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: 2-phenoxyethyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: 2-phenoxyethyl 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid 2-phenoxyethyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCCOC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCCOC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H17N3O3S/c25-21(27-14-13-26-17-10-5-2-6-11-17)19-22-20(18-12-7-15-28-18)24(23-19)16-8-3-1-4-9-16/h1-12,15H,13-14H2