8-methyl-7-oxidanyl-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C24H24N4O3S MolecularWeight: 448.53736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5)O

InChI

InChI=1S/C24H24N4O3S/c1-16-20(29)10-9-19-17(13-22(30)31-23(16)19)15-32-24-26-25-21(14-27-11-5-6-12-27)28(24)18-7-3-2-4-8-18/h2-4,7-10,13,29H,5-6,11-12,14-15H2,1H3