6-butan-2-yl-3-methylsulfanyl-4-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazin-5-one

Systemtic Name: 6-butan-2-yl-3-methylsulfanyl-4-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazin-5-one Openeye Name: 3-methylsulfanyl-4-[(E)-(3-nitrophenyl)methyleneamino]-6-sec-butyl-1,2,4-triazin-5-one CAS Name: 6-butan-2-yl-3-(methylthio)-4-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazin-5-one IUPAC Name: 6-butan-2-yl-3-methylsulfanyl-4-[(E)-(3-nitrophenyl)methylideneamino]-1,2,4-triazin-5-one Traditional Name: 3-(methylthio)-4-[(E)-(3-nitrobenzylidene)amino]-6-sec-butyl-1,2,4-triazin-5-one Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O3S/c1-4-10(2)13-14(21)19(15(24-3)18-17-13)16-9-11-6-5-7-12(8-11)20(22)23/h5-10H,4H2,1-3H3/b16-9+