tert-butyl 3-methyl-5-oxidanylidene-1-(1-thiophen-2-ylethenyl)-1,2,4-triazole-4-carboxylate

Systemtic Name: tert-butyl 3-methyl-5-oxidanylidene-1-(1-thiophen-2-ylethenyl)-1,2,4-triazole-4-carboxylate Openeye Name: tert-butyl 3-methyl-5-oxo-1-[1-(2-thienyl)vinyl]-1,2,4-triazole-4-carboxylate CAS Name: 3-methyl-5-oxo-1-(1-thiophen-2-ylethenyl)-1,2,4-triazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-5-oxo-1-(1-thiophen-2-ylethenyl)-1,2,4-triazole-4-carboxylate Traditional Name: 5-keto-3-methyl-1-[1-(2-thienyl)vinyl]-1,2,4-triazole-4-carboxylic acid tert-butyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C(=O)OC(C)(C)C)C(=C)C2=CC=CS2

Isomeric SMILES

CC1=NN(C(=O)N1C(=O)OC(C)(C)C)C(=C)C2=CC=CS2

InChI

InChI=1S/C14H17N3O3S/c1-9(11-7-6-8-21-11)17-12(18)16(10(2)15-17)13(19)20-14(3,4)5/h6-8H,1H2,2-5H3