3-(3-methyl-2-nitro-phenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3-methyl-2-nitro-phenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-methylallyl)-3-(3-methyl-2-nitro-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-methyl-2-nitrophenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-methyl-2-nitrophenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-methylallyl)-3-(3-methyl-2-nitro-phenyl)-1H-1,2,4-triazole-5-thione Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C2=NNC(=S)N2CC(=C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C2=NNC(=S)N2CC(=C)C

InChI

InChI=1S/C13H14N4O2S/c1-8(2)7-16-12(14-15-13(16)20)10-6-4-5-9(3)11(10)17(18)19/h4-6H,1,7H2,2-3H3,(H,15,20)