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

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-methyl-5-(3-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-methyl-5-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-4-methyl-5-(3-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-4-methyl-5-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-4-methyl-5-(m-tolyl)-1,2,4-triazole Formula: C21H20ClN5S MolecularWeight: 409.935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=C(N(N=C3C)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=C(N(N=C3C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5S/c1-14-8-7-9-16(12-14)20-23-24-21(26(20)3)28-13-18-15(2)25-27(19(18)22)17-10-5-4-6-11-17/h4-12H,13H2,1-3H3