3-methyl-2-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-methyl-2-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-methyl-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-1H-1,2,4-triazol-5-one CAS Name: 3-methyl-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-methyl-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-methyl-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-1H-1,2,4-triazol-5-one Formula: C16H13N7O MolecularWeight: 319.32072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)NN1C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

Isomeric SMILES

CC1=NC(=O)NN1C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

InChI

InChI=1S/C16H13N7O/c1-10-17-16(24)20-23(10)12-7-8-13(11-5-3-2-4-6-11)14(9-12)15-18-21-22-19-15/h2-9H,1H3,(H,20,24)(H,18,19,21,22)