6-[2-[(4-nitrophenyl)methylamino]phenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[2-[(4-nitrophenyl)methylamino]phenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 6-[2-[(4-nitrophenyl)methylamino]phenyl]-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 6-[2-[(4-nitrophenyl)methylamino]phenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 6-[2-[(4-nitrophenyl)methylamino]phenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 6-[2-[(4-nitrobenzyl)amino]phenyl]-3-thioxo-2H-1,2,4-triazin-5-one Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NNC(=S)NC2=O)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NNC(=S)NC2=O)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c22-15-14(19-20-16(25)18-15)12-3-1-2-4-13(12)17-9-10-5-7-11(8-6-10)21(23)24/h1-8,17H,9H2,(H2,18,20,22,25)