5-tert-butyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1CN3C(=S)N=C(N3)C(C)(C)C)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC2=C(N1CN3C(=S)N=C(N3)C(C)(C)C)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2S/c1-10-7-11-8-12(21(22)23)5-6-13(11)19(10)9-20-15(24)17-14(18-20)16(2,3)4/h5-6,8,10H,7,9H2,1-4H3,(H,17,18,24)