3-tert-butylsulfanyl-6-methyl-4-[(E)-(2-nitrophenyl)methylideneamino]-1,2,4-triazin-5-one

Systemtic Name: 3-tert-butylsulfanyl-6-methyl-4-[(E)-(2-nitrophenyl)methylideneamino]-1,2,4-triazin-5-one Openeye Name: 3-tert-butylsulfanyl-6-methyl-4-[(E)-(2-nitrophenyl)methyleneamino]-1,2,4-triazin-5-one CAS Name: 3-(tert-butylthio)-6-methyl-4-[(E)-(2-nitrophenyl)methylideneamino]-1,2,4-triazin-5-one IUPAC Name: 3-tert-butylsulfanyl-6-methyl-4-[(E)-(2-nitrophenyl)methylideneamino]-1,2,4-triazin-5-one Traditional Name: 3-(tert-butylthio)-6-methyl-4-[(E)-(2-nitrobenzylidene)amino]-1,2,4-triazin-5-one Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N=CC2=CC=CC=C2[N+](=O)[O-])SC(C)(C)C

Isomeric SMILES

CC1=NN=C(N(C1=O)/N=C/C2=CC=CC=C2[N+](=O)[O-])SC(C)(C)C

InChI

InChI=1S/C15H17N5O3S/c1-10-13(21)19(14(18-17-10)24-15(2,3)4)16-9-11-7-5-6-8-12(11)20(22)23/h5-9H,1-4H3/b16-9+