3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NNC(=O)N2CC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CSC2=NNC(=O)N2CC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClN5OS/c1-14-17(18(21)26(24-14)16-10-6-3-7-11-16)13-28-20-23-22-19(27)25(20)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,27)