4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C22H23N3O2S2 MolecularWeight: 425.56692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)C4=CC=CS4

InChI

InChI=1S/C22H23N3O2S2/c1-5-25-21(19-7-6-8-28-19)23-24-22(25)29-12-15-10-20(26)27-18-9-14(4)16(13(2)3)11-17(15)18/h6-11,13H,5,12H2,1-4H3