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

Systemtic Name: 5-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-methyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-methyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C16H19N5O2S MolecularWeight: 345.41936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S/c1-4-7-18-12(3)17-20(16(18)24)10-19-11(2)8-13-9-14(21(22)23)5-6-15(13)19/h4-6,9,11H,1,7-8,10H2,2-3H3