1,3-benzothiazol-2-ylmethyl 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H11N5O2S MolecularWeight: 337.35584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC(=CC=C3)N4C=NN=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC(=CC=C3)N4C=NN=N4

InChI

InChI=1S/C16H11N5O2S/c22-16(11-4-3-5-12(8-11)21-10-17-19-20-21)23-9-15-18-13-6-1-2-7-14(13)24-15/h1-8,10H,9H2