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

Systemtic Name: 4-cyclohexyl-3-(naphthalen-1-ylmethyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(1-naphthylmethyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(1-naphthalenylmethyl)-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(naphthalen-1-ylmethyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(1-naphthylmethyl)-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C30H29N3S MolecularWeight: 463.63636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C30H29N3S/c1-2-16-26(17-3-1)33-29(20-24-14-8-12-22-10-4-6-18-27(22)24)31-32-30(33)34-21-25-15-9-13-23-11-5-7-19-28(23)25/h4-15,18-19,26H,1-3,16-17,20-21H2