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

Systemtic Name: 1-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C21H15N3O2S2 MolecularWeight: 405.4927

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CS5

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CS5

InChI

InChI=1S/C21H15N3O2S2/c1-24-20(17-7-4-10-27-17)22-23-21(24)28-12-14-11-18(25)26-16-9-8-13-5-2-3-6-15(13)19(14)16/h2-11H,12H2,1H3