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

Systemtic Name: 1,5-dimethyl-4-[(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]iminomethyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]iminomethyl]-2-phenyl-3-pyrazolin-3-one Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NN3C(=NN=C3SC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NN3C(=NN=C3SC)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6OS/c1-15-18(20(28)27(25(15)2)17-12-8-5-9-13-17)14-22-26-19(23-24-21(26)29-3)16-10-6-4-7-11-16/h4-14H,1-3H3