1,5-dimethyl-4-[5-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[5-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[5-(o-tolylmethylsulfanyl)tetrazol-1-yl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[5-[(2-methylphenyl)methylthio]-1-tetrazolyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[5-[(2-methylbenzyl)thio]tetrazol-1-yl]-2-phenyl-3-pyrazolin-3-one Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=NN2C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=NN2C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C20H20N6OS/c1-14-9-7-8-10-16(14)13-28-20-21-22-23-25(20)18-15(2)24(3)26(19(18)27)17-11-5-4-6-12-17/h4-12H,13H2,1-3H3