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

Systemtic Name: 4,5-dimethyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dimethyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dimethyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dimethyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dimethyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O2S/c1-9-6-11-7-12(19(20)21)4-5-13(11)17(9)8-18-14(22)16(3)10(2)15-18/h4-5,7,9H,6,8H2,1-3H3