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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methylphenyl)-4-naphthalen-1-yl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(1-naphthyl)-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(4-methylphenyl)-4-(1-naphthalenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methylphenyl)-4-naphthalen-1-yl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(1-naphthyl)-5-(p-tolyl)-1,2,4-triazole Formula: C30H29N3S MolecularWeight: 463.63636

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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=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H29N3S/c1-21-12-16-24(17-13-21)28-31-32-29(34-20-22-14-18-25(19-15-22)30(2,3)4)33(28)27-11-7-9-23-8-5-6-10-26(23)27/h5-19H,20H2,1-4H3