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

Systemtic Name: 3-(methoxymethyl)-4-[1-(phenylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1-benzylpyrazol-4-yl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(methoxymethyl)-4-[1-(phenylmethyl)-4-pyrazolyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1-benzylpyrazol-4-yl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1-benzylpyrazol-4-yl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NNC(=S)N1C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

COCC1=NNC(=S)N1C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C14H15N5OS/c1-20-10-13-16-17-14(21)19(13)12-7-15-18(9-12)8-11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3,(H,17,21)