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

Systemtic Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C28H31N3S MolecularWeight: 441.63084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H31N3S/c1-28(2,3)23-17-15-21(16-18-23)26-29-30-27(31(26)24-12-5-6-13-24)32-19-22-11-8-10-20-9-4-7-14-25(20)22/h4,7-11,14-18,24H,5-6,12-13,19H2,1-3H3