4-methyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN(C(=S)N2C)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN(C(=S)N2C)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C24H21N3O2S/c1-16-9-3-6-12-19(16)28-15-22-25-27(24(30)26(22)2)23-17-10-4-7-13-20(17)29-21-14-8-5-11-18(21)23/h3-14,23H,15H2,1-2H3