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

Systemtic Name: 2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(2-methyl-5-nitro-indolin-1-yl)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN2C(CC3=C2C=CC(=C3)[N+](=O)[O-])C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)CN2C(CC3=C2C=CC(=C3)[N+](=O)[O-])C)C4=CC=NC=C4

InChI

InChI=1S/C20H22N6O2S/c1-3-10-23-19(15-6-8-21-9-7-15)22-25(20(23)29)13-24-14(2)11-16-12-17(26(27)28)4-5-18(16)24/h4-9,12,14H,3,10-11,13H2,1-2H3