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

Systemtic Name: 4-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O2S/c1-9-5-10-6-11(18(19)20)3-4-12(10)16(9)8-17-13(21)15(2)7-14-17/h3-4,6-7,9H,5,8H2,1-2H3