N-(1-naphthalen-1-ylethyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-naphthalen-1-ylethyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-[1-(1-naphthyl)ethyl]-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[1-(1-naphthalenyl)ethyl]-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-naphthalen-1-ylethyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-[1-(1-naphthyl)ethyl]-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

InChI

InChI=1S/C27H29N5OS/c1-20(23-15-9-11-21-10-5-6-14-24(21)23)28-26(33)19-34-27-30-29-25(18-31-16-7-8-17-31)32(27)22-12-3-2-4-13-22/h2-6,9-15,20H,7-8,16-19H2,1H3,(H,28,33)