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

Systemtic Name: 4-cyclopropyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5CC5)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC2=C(N1CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5CC5)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O2S/c1-13-9-15-10-17(26(27)28)6-7-18(15)23(13)12-24-20(29)25(16-4-5-16)19(22-24)14-3-2-8-21-11-14/h2-3,6-8,10-11,13,16H,4-5,9,12H2,1H3