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

Systemtic Name: 5-(4-methoxyphenyl)-4-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-4-methyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-methyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-4-methyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1CN3C(=S)N(C(=N3)C4=CC=C(C=C4)OC)C)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC2=C(N1CN3C(=S)N(C(=N3)C4=CC=C(C=C4)OC)C)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-13-10-15-11-16(25(26)27)6-9-18(15)23(13)12-24-20(29)22(2)19(21-24)14-4-7-17(28-3)8-5-14/h4-9,11,13H,10,12H2,1-3H3