4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)C5=CC=CC=C5

InChI

InChI=1S/C23H21N3O2S/c1-2-26-22(15-7-4-3-5-8-15)24-25-23(26)29-14-18-13-21(27)28-20-12-17-10-6-9-16(17)11-19(18)20/h3-5,7-8,11-13H,2,6,9-10,14H2,1H3