1,3-benzothiazol-2-ylmethyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H12N6O4S2 MolecularWeight: 428.44498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H12N6O4S2/c1-22-17(19-20-21-22)29-13-7-6-10(23(25)26)8-11(13)16(24)27-9-15-18-12-4-2-3-5-14(12)28-15/h2-8H,9H2,1H3