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

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(3-chloro-4-methyl-phenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-chloro-4-methylphenyl)-3-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 4-(3-chloro-4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(3-chloro-4-methyl-phenyl)-3-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C19H16ClN5S MolecularWeight: 381.88184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5S/c1-14-3-6-17(11-18(14)20)24-13-21-23-19(24)26-12-15-4-7-16(8-5-15)25-10-2-9-22-25/h2-11,13H,12H2,1H3