5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole

Systemtic Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole Openeye Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole CAS Name: 5-[(4-tert-butylphenyl)thio]-1-methyl-3-nitro-1,2,4-triazole IUPAC Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole Traditional Name: 5-[(4-tert-butylphenyl)thio]-1-methyl-3-nitro-1,2,4-triazole Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=NC(=NN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=NC(=NN2C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-13(2,3)9-5-7-10(8-6-9)20-12-14-11(17(18)19)15-16(12)4/h5-8H,1-4H3