4-cyclohexyl-3-[(3-methylphenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-[(3-methylphenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(m-tolylmethylsulfanyl)-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(3-methylphenyl)methylthio]-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(3-methylphenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(3-methylbenzyl)thio]-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C27H29N3S MolecularWeight: 427.60426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H29N3S/c1-20-9-7-10-21(17-20)19-31-27-29-28-26(30(27)24-14-3-2-4-15-24)18-23-13-8-12-22-11-5-6-16-25(22)23/h5-13,16-17,24H,2-4,14-15,18-19H2,1H3