(2S)-3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile

Systemtic Name: (2S)-3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile Openeye Name: (2S)-3-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile CAS Name: (2S)-3-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-2-methylpropanenitrile IUPAC Name: (2S)-3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanenitrile Traditional Name: (2S)-3-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionitrile Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=C(N1C2CCCCC2)CC3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

C[C@H](CSC1=NN=C(N1C2CCCCC2)CC3=CC=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C23H26N4S/c1-17(15-24)16-28-23-26-25-22(27(23)20-11-3-2-4-12-20)14-19-10-7-9-18-8-5-6-13-21(18)19/h5-10,13,17,20H,2-4,11-12,14,16H2,1H3/t17-/m0/s1