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

Systemtic Name: 5-[(2-methylphenoxy)methyl]-4-(phenylmethyl)-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione CAS Name: 5-[(2-methylphenoxy)methyl]-4-(phenylmethyl)-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Formula: C30H25N3O2S MolecularWeight: 491.6034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN(C(=S)N2CC3=CC=CC=C3)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN(C(=S)N2CC3=CC=CC=C3)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C30H25N3O2S/c1-21-11-5-8-16-25(21)34-20-28-31-33(30(36)32(28)19-22-12-3-2-4-13-22)29-23-14-6-9-17-26(23)35-27-18-10-7-15-24(27)29/h2-18,29H,19-20H2,1H3