4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 6,7-dimethyl-4-[[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C28H23N3O4S MolecularWeight: 497.56492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C

InChI

InChI=1S/C28H23N3O4S/c1-17-10-22-21(13-26(32)35-24(22)11-18(17)2)15-36-28-30-29-27(20-6-4-3-5-7-20)31(28)14-19-8-9-23-25(12-19)34-16-33-23/h3-13H,14-16H2,1-2H3