3-[(4-aminophenyl)methylsulfanyl]-6-[(2-nitrophenyl)methyl]-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[(4-aminophenyl)methylsulfanyl]-6-[(2-nitrophenyl)methyl]-2H-1,2,4-triazin-5-one Openeye Name: 3-[(4-aminophenyl)methylsulfanyl]-6-[(2-nitrophenyl)methyl]-2H-1,2,4-triazin-5-one CAS Name: 3-[(4-aminophenyl)methylthio]-6-[(2-nitrophenyl)methyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-[(4-aminophenyl)methylsulfanyl]-6-[(2-nitrophenyl)methyl]-2H-1,2,4-triazin-5-one Traditional Name: 3-[(4-aminobenzyl)thio]-6-(2-nitrobenzyl)-2H-1,2,4-triazin-5-one Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NNC(=NC2=O)SCC3=CC=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NNC(=NC2=O)SCC3=CC=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c18-13-7-5-11(6-8-13)10-26-17-19-16(23)14(20-21-17)9-12-3-1-2-4-15(12)22(24)25/h1-8H,9-10,18H2,(H,19,21,23)