4-cyclohexyl-3-(naphthalen-1-ylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(naphthalen-1-ylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(1-naphthalenylmethyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C26H27N3S MolecularWeight: 413.57768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N3S/c1-3-10-20(11-4-1)19-30-26-28-27-25(29(26)23-15-5-2-6-16-23)18-22-14-9-13-21-12-7-8-17-24(21)22/h1,3-4,7-14,17,23H,2,5-6,15-16,18-19H2