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

Systemtic Name: 6-methyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one Openeye Name: 6-methyl-3-[(1-phenyltetrazol-5-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one CAS Name: 6-methyl-3-[(1-phenyl-5-tetrazolyl)methylthio]-2H-1,2,4-triazin-5-one IUPAC Name: 6-methyl-3-[(1-phenyltetrazol-5-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one Traditional Name: 6-methyl-3-[(1-phenyltetrazol-5-yl)methylthio]-2H-1,2,4-triazin-5-one Formula: C12H11N7OS MolecularWeight: 301.32704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=NNC(=NC1=O)SCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C12H11N7OS/c1-8-11(20)13-12(16-14-8)21-7-10-15-17-18-19(10)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,16,20)