3-(4-tert-butylphenyl)-4-cyclohexyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C29H33N3S MolecularWeight: 455.65742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H33N3S/c1-29(2,3)24-18-16-22(17-19-24)27-30-31-28(32(27)25-13-5-4-6-14-25)33-20-23-12-9-11-21-10-7-8-15-26(21)23/h7-12,15-19,25H,4-6,13-14,20H2,1-3H3