(E)-3-azanyl-2-[2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetyl]but-2-enenitrile Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5OS/c1-17(27)22(15-26)23(31)16-32-25-29-28-24(30(25)20-11-3-2-4-12-20)14-19-10-7-9-18-8-5-6-13-21(18)19/h5-10,13,20H,2-4,11-12,14,16,27H2,1H3/b22-17+