(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-methyl-2-(3-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(3-thiophenyl)-5-thiazolecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(3-thienyl)thiazole-5-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C17H13N5O2S2 MolecularWeight: 383.44742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CSC=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CSC=C2)C(=O)OCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H13N5O2S2/c1-11-15(26-16(18-11)12-7-8-25-10-12)17(23)24-9-14-19-20-21-22(14)13-5-3-2-4-6-13/h2-8,10H,9H2,1H3