6-nitro-2-[[2-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[[2-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-(2-benzyltetrazol-5-yl)sulfanyl-6-nitro-1,3-benzothiazole CAS Name: 6-nitro-2-[[2-(phenylmethyl)-5-tetrazolyl]thio]-1,3-benzothiazole IUPAC Name: 2-(2-benzyltetrazol-5-yl)sulfanyl-6-nitro-1,3-benzothiazole Traditional Name: 2-[(2-benzyltetrazol-5-yl)thio]-6-nitro-1,3-benzothiazole Formula: C15H10N6O2S2 MolecularWeight: 370.4089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2N=C(N=N2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2N=C(N=N2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C15H10N6O2S2/c22-21(23)11-6-7-12-13(8-11)24-15(16-12)25-14-17-19-20(18-14)9-10-4-2-1-3-5-10/h1-8H,9H2