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

Systemtic Name: 3-methyl-4-(4-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-methyl-4-(p-tolyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-methyl-4-(4-methylphenyl)-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-methyl-4-(4-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-methyl-4-(p-tolyl)-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C20H19N5S MolecularWeight: 361.46336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C20H19N5S/c1-15-4-8-19(9-5-15)25-16(2)22-23-20(25)26-14-17-6-10-18(11-7-17)24-13-3-12-21-24/h3-13H,14H2,1-2H3