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

Systemtic Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NN=C(N1C2CCCCC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)N)SC1=NN=C(N1C2CCCCC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H26N4OS/c1-15(21(23)27)28-22-25-24-20(26(22)18-11-3-2-4-12-18)14-17-10-7-9-16-8-5-6-13-19(16)17/h5-10,13,15,18H,2-4,11-12,14H2,1H3,(H2,23,27)