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

Systemtic Name: N-(diphenylmethyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-benzhydryl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(diphenylmethyl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-benzhydryl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-benzhydryl-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C29H31N5OS MolecularWeight: 497.65434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

InChI

InChI=1S/C29H31N5OS/c1-22(28(35)30-27(23-13-5-2-6-14-23)24-15-7-3-8-16-24)36-29-32-31-26(21-33-19-11-12-20-33)34(29)25-17-9-4-10-18-25/h2-10,13-18,22,27H,11-12,19-21H2,1H3,(H,30,35)