1-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CS5

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CS5

InChI

InChI=1S/C22H17N3O2S2/c1-2-25-21(18-8-5-11-28-18)23-24-22(25)29-13-15-12-19(26)27-17-10-9-14-6-3-4-7-16(14)20(15)17/h3-12H,2,13H2,1H3