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

Systemtic Name: 6-tert-butyl-4-[(E)-(2-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 6-tert-butyl-4-[(E)-(2-nitrophenyl)methyleneamino]-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 6-tert-butyl-4-[(E)-(2-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 6-tert-butyl-4-[(E)-(2-nitrophenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 6-tert-butyl-4-[(E)-(2-nitrobenzylidene)amino]-3-thioxo-2H-1,2,4-triazin-5-one Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N(C1=O)N=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N(C1=O)/N=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O3S/c1-14(2,3)11-12(20)18(13(23)17-16-11)15-8-9-6-4-5-7-10(9)19(21)22/h4-8H,1-3H3,(H,17,23)/b15-8+