3-methyl-4-(phenylmethyl)-5-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-methyl-4-(phenylmethyl)-5-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-benzyl-3-methyl-5-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-methyl-4-(phenylmethyl)-5-[(1-phenyl-4-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 4-benzyl-3-methyl-5-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-methyl-5-[(1-phenylpyrazol-4-yl)methylthio]-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=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CN(N=C3)C4=CC=CC=C4

InChI

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