3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-5-cyclopropyl-1,2,4-triazole Formula: C23H22ClN5S MolecularWeight: 435.97228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H22ClN5S/c1-16-20(21(24)29(27-16)19-10-6-3-7-11-19)15-30-23-26-25-22(18-12-13-18)28(23)14-17-8-4-2-5-9-17/h2-11,18H,12-15H2,1H3