(4-oxidanylidene-4-thiophen-2-yl-butyl) 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCCCC(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)OCCCC(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-13-17(20-21(19-13)14-7-3-2-4-8-14)18(23)24-11-5-9-15(22)16-10-6-12-25-16/h2-4,6-8,10,12H,5,9,11H2,1H3