4-azanyl-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one Openeye Name: 4-amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one CAS Name: 4-amino-6-tert-butyl-3-[(4-nitrophenyl)methylthio]-1,2,4-triazin-5-one IUPAC Name: 4-amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one Traditional Name: 4-amino-6-tert-butyl-3-[(4-nitrobenzyl)thio]-1,2,4-triazin-5-one Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N(C1=O)N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(N(C1=O)N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O3S/c1-14(2,3)11-12(20)18(15)13(17-16-11)23-8-9-4-6-10(7-5-9)19(21)22/h4-7H,8,15H2,1-3H3