3-[(2-methylphenoxy)methyl]-4-[1-(phenylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-methylphenoxy)methyl]-4-[1-(phenylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1-benzylpyrazol-4-yl)-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-methylphenoxy)methyl]-4-[1-(phenylmethyl)-4-pyrazolyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1-benzylpyrazol-4-yl)-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1-benzylpyrazol-4-yl)-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1OCC2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N5OS/c1-15-7-5-6-10-18(15)26-14-19-22-23-20(27)25(19)17-11-21-24(13-17)12-16-8-3-2-4-9-16/h2-11,13H,12,14H2,1H3,(H,23,27)