ethyl 4-methyl-2-[pentyl-[(2-phenyl-1,2,3-triazol-4-yl)carbonyl]amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[pentyl-[(2-phenyl-1,2,3-triazol-4-yl)carbonyl]amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[pentyl-(2-phenyltriazole-4-carbonyl)amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[oxo-(2-phenyl-4-triazolyl)methyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[pentyl-(2-phenyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-(2-phenyltriazole-4-carbonyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O3S/c1-4-6-10-13-25(21-23-15(3)18(30-21)20(28)29-5-2)19(27)17-14-22-26(24-17)16-11-8-7-9-12-16/h7-9,11-12,14H,4-6,10,13H2,1-3H3