6-tert-butyl-3-methylsulfanyl-4-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazinan-5-one

Systemtic Name: 6-tert-butyl-3-methylsulfanyl-4-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazinan-5-one Openeye Name: 6-tert-butyl-3-methylsulfanyl-4-[(E)-(3-nitrophenyl)methyleneamino]-1,2,4-triazinan-5-one CAS Name: 6-tert-butyl-3-(methylthio)-4-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazinan-5-one IUPAC Name: 6-tert-butyl-3-methylsulfanyl-4-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazinan-5-one Traditional Name: 6-tert-butyl-3-(methylthio)-4-[(E)-(3-nitrobenzylidene)amino]-1,2,4-triazinan-5-one Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(=O)N(C(NN1)SC)N=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1C(=O)N(C(NN1)SC)/N=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O3S/c1-15(2,3)12-13(21)19(14(24-4)18-17-12)16-9-10-6-5-7-11(8-10)20(22)23/h5-9,12,14,17-18H,1-4H3/b16-9+