5-[(2-chlorophenyl)methylsulfanylmethyl]-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanylmethyl]-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Openeye Name: 5-[(2-chlorophenyl)methylsulfanylmethyl]-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione CAS Name: 5-[[(2-chlorophenyl)methylthio]methyl]-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(2-chlorophenyl)methylsulfanylmethyl]-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Traditional Name: 5-[[(2-chlorobenzyl)thio]methyl]-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Formula: C29H22ClN3OS2 MolecularWeight: 528.08748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN(C2=S)C3C4=CC=CC=C4OC5=CC=CC=C35)CSCC6=CC=CC=C6Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN(C2=S)C3C4=CC=CC=C4OC5=CC=CC=C35)CSCC6=CC=CC=C6Cl

InChI

InChI=1S/C29H22ClN3OS2/c30-24-15-7-4-10-20(24)18-36-19-27-31-33(29(35)32(27)21-11-2-1-3-12-21)28-22-13-5-8-16-25(22)34-26-17-9-6-14-23(26)28/h1-17,28H,18-19H2