2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)thio]-6-nitro-1,3-benzothiazole Formula: C19H17N5O2S2 MolecularWeight: 411.50058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1C2=CC=CC=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(N1C2=CC=CC=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O2S2/c1-19(2,3)16-21-22-17(23(16)12-7-5-4-6-8-12)28-18-20-14-10-9-13(24(25)26)11-15(14)27-18/h4-11H,1-3H3