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

Systemtic Name: 3-methyl-4-(phenylmethyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-benzyl-3-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-methyl-4-(phenylmethyl)-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 4-benzyl-3-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-methyl-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=NN=C(N1CC2=CC=CC=C2)SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H19N5S/c1-16-22-23-20(24(16)14-17-6-3-2-4-7-17)26-15-18-8-10-19(11-9-18)25-13-5-12-21-25/h2-13H,14-15H2,1H3