4-(4-methylphenyl)-3-[(5-nitroindol-1-yl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-methylphenyl)-3-[(5-nitroindol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(5-nitroindol-1-yl)methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methylphenyl)-3-[(5-nitro-1-indolyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methylphenyl)-3-[(5-nitroindol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(5-nitroindol-1-yl)methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)CN3C=CC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)CN3C=CC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O2S/c1-12-2-4-14(5-3-12)22-17(19-20-18(22)26)11-21-9-8-13-10-15(23(24)25)6-7-16(13)21/h2-10H,11H2,1H3,(H,20,26)