5-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-benzyl-5-[(7-methylindan-4-yl)oxymethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-benzyl-5-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-benzyl-5-[(7-methylindan-4-yl)oxymethyl]-1,2,4-triazole-3-thiolate Formula: C20H20N3OS- MolecularWeight: 350.4573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCC2=C(C=C1)OCC3=NN=C(N3CC4=CC=CC=C4)[S-]

Isomeric SMILES

CC1=C2CCCC2=C(C=C1)OCC3=NN=C(N3CC4=CC=CC=C4)[S-]

InChI

InChI=1S/C20H21N3OS/c1-14-10-11-18(17-9-5-8-16(14)17)24-13-19-21-22-20(25)23(19)12-15-6-3-2-4-7-15/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3,(H,22,25)/p-1