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

Systemtic Name: 6-tert-butyl-3-methylsulfanyl-4-[(E)-(2-nitrophenyl)methylideneamino]-1,2,4-triazin-5-one hydrochloride Openeye Name: 6-tert-butyl-3-methylsulfanyl-4-[(E)-(2-nitrophenyl)methyleneamino]-1,2,4-triazin-5-one hydrochloride CAS Name: 6-tert-butyl-3-(methylthio)-4-[(E)-(2-nitrophenyl)methylideneamino]-1,2,4-triazin-5-one hydrochloride IUPAC Name: 6-tert-butyl-3-methylsulfanyl-4-[(E)-(2-nitrophenyl)methylideneamino]-1,2,4-triazin-5-one hydrochloride Traditional Name: 6-tert-butyl-3-(methylthio)-4-[(E)-(2-nitrobenzylidene)amino]-1,2,4-triazin-5-one hydrochloride Formula: C15H18ClN5O3S MolecularWeight: 383.85312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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