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

Systemtic Name: 4-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1CN3C(=S)N(C(=N3)CC4=CC=CS4)C)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC2=C(N1CN3C(=S)N(C(=N3)CC4=CC=CS4)C)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O2S2/c1-12-8-13-9-14(23(24)25)5-6-16(13)21(12)11-22-18(26)20(2)17(19-22)10-15-4-3-7-27-15/h3-7,9,12H,8,10-11H2,1-2H3