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

Systemtic Name: 5-[(2-nitrophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazin-6-one Openeye Name: 5-[(2-nitrophenyl)methyl]-3-(2-thienyl)-1H-1,2,4-triazin-6-one CAS Name: 5-[(2-nitrophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazin-6-one IUPAC Name: 5-[(2-nitrophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazin-6-one Traditional Name: 5-(2-nitrobenzyl)-3-(2-thienyl)-1H-1,2,4-triazin-6-one Formula: C14H10N4O3S MolecularWeight: 314.3192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NC(=NNC2=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NC(=NNC2=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O3S/c19-14-10(8-9-4-1-2-5-11(9)18(20)21)15-13(16-17-14)12-6-3-7-22-12/h1-7H,8H2,(H,17,19)