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

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-(3-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-(3-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-5-(3-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-(3-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-5-(3-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NN=C(N2C)C3=CC(=CC=C3)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CSC2=NN=C(N2C)C3=CC(=CC=C3)OC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5OS/c1-14-18(19(22)27(25-14)16-9-5-4-6-10-16)13-29-21-24-23-20(26(21)2)15-8-7-11-17(12-15)28-3/h4-12H,13H2,1-3H3