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

Systemtic Name: 1-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C26H17N3O2S2 MolecularWeight: 467.56208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C6=CC=CS6

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C6=CC=CS6

InChI

InChI=1S/C26H17N3O2S2/c30-23-15-18(24-20-10-5-4-7-17(20)12-13-21(24)31-23)16-33-26-28-27-25(22-11-6-14-32-22)29(26)19-8-2-1-3-9-19/h1-15H,16H2