7-methoxy-4-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C26H28N4O3S MolecularWeight: 476.59052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CC=C4)CN5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CC=C4)CN5CCCCC5

InChI

InChI=1S/C26H28N4O3S/c1-32-21-10-11-22-20(14-25(31)33-23(22)15-21)18-34-26-28-27-24(17-29-12-6-3-7-13-29)30(26)16-19-8-4-2-5-9-19/h2,4-5,8-11,14-15H,3,6-7,12-13,16-18H2,1H3