3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-4-naphthalen-1-yl-1,2,4-triazole

Systemtic Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-4-naphthalen-1-yl-1,2,4-triazole Openeye Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-(1-naphthyl)-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(2,4-dichlorophenyl)methylthio]-5-(4-methylphenyl)-4-(1-naphthalenyl)-1,2,4-triazole IUPAC Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-4-naphthalen-1-yl-1,2,4-triazole Traditional Name: 3-[(2,4-dichlorobenzyl)thio]-4-(1-naphthyl)-5-(p-tolyl)-1,2,4-triazole Formula: C26H19Cl2N3S MolecularWeight: 476.42016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC4=CC=CC=C43)SCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC4=CC=CC=C43)SCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H19Cl2N3S/c1-17-9-11-19(12-10-17)25-29-30-26(32-16-20-13-14-21(27)15-23(20)28)31(25)24-8-4-6-18-5-2-3-7-22(18)24/h2-15H,16H2,1H3