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

Systemtic Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NNC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NNC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H17N3O2S/c25-19-11-16(17-9-14-7-4-8-15(14)10-18(17)26-19)12-27-21-22-20(23-24-21)13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2,(H,22,23,24)