2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)ethanone

Systemtic Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)ethanone Openeye Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)ethanone CAS Name: 2-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)ethanone Traditional Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)ethanone Formula: C29H31N3OS MolecularWeight: 469.64094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H31N3OS/c1-2-21-15-17-23(18-16-21)27(33)20-34-29-31-30-28(32(29)25-12-4-3-5-13-25)19-24-11-8-10-22-9-6-7-14-26(22)24/h6-11,14-18,25H,2-5,12-13,19-20H2,1H3