1,3-benzothiazol-2-ylmethyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O2S/c1-12-17(21-22(20-12)13-7-3-2-4-8-13)18(23)24-11-16-19-14-9-5-6-10-15(14)25-16/h2-10H,11H2,1H3