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

Systemtic Name: 4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[(4-phenyl-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=NN=CN4C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NN=CN4C5=CC=CC=C5

InChI

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