2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: 2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: 2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(4-piperidinophenyl)propionamide Formula: C27H34N6OS MolecularWeight: 490.66346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

InChI

InChI=1S/C27H34N6OS/c1-21(26(34)28-22-12-14-23(15-13-22)32-18-6-3-7-19-32)35-27-30-29-25(20-31-16-8-9-17-31)33(27)24-10-4-2-5-11-24/h2,4-5,10-15,21H,3,6-9,16-20H2,1H3,(H,28,34)