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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-3-(9H-xanthen-9-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-chlorophenyl)methyl]-3-(9H-xanthen-9-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-chlorophenyl)methyl]-3-(9H-xanthen-9-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(4-chlorophenyl)methyl]-3-(9H-xanthen-9-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorobenzyl)-3-(9H-xanthen-9-yl)-1H-1,2,4-triazole-5-thione Formula: C22H16ClN3OS MolecularWeight: 405.89994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C4=NNC(=S)N4CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C4=NNC(=S)N4CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H16ClN3OS/c23-15-11-9-14(10-12-15)13-26-21(24-25-22(26)28)20-16-5-1-3-7-18(16)27-19-8-4-2-6-17(19)20/h1-12,20H,13H2,(H,25,28)