N-[2-oxidanylidene-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-7-yl]ethanamide

Systemtic Name: N-[2-oxidanylidene-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-7-yl]ethanamide Openeye Name: N-[2-oxo-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-7-yl]acetamide CAS Name: N-[2-oxo-4-[[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-7-yl]acetamide IUPAC Name: N-[2-oxo-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]chromen-7-yl]acetamide Formula: C25H25N5O3S MolecularWeight: 475.5627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

InChI

InChI=1S/C25H25N5O3S/c1-17(31)26-19-9-10-21-18(13-24(32)33-22(21)14-19)16-34-25-28-27-23(15-29-11-5-6-12-29)30(25)20-7-3-2-4-8-20/h2-4,7-10,13-14H,5-6,11-12,15-16H2,1H3,(H,26,31)