4-cyclohexyl-5-(phenylmethyl)-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclohexyl-5-(phenylmethyl)-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-cyclohexyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione CAS Name: 4-cyclohexyl-5-(phenylmethyl)-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-cyclohexyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-cyclohexyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Formula: C28H27N3OS MolecularWeight: 453.59848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)C3C4=CC=CC=C4OC5=CC=CC=C35)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)C3C4=CC=CC=C4OC5=CC=CC=C35)CC6=CC=CC=C6

InChI

InChI=1S/C28H27N3OS/c33-28-30(21-13-5-2-6-14-21)26(19-20-11-3-1-4-12-20)29-31(28)27-22-15-7-9-17-24(22)32-25-18-10-8-16-23(25)27/h1,3-4,7-12,15-18,21,27H,2,5-6,13-14,19H2