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

Systemtic Name: 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC=NN4

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC=NN4

InChI

InChI=1S/C15H13N3O2S/c19-14-6-11(7-21-15-16-8-17-18-15)12-4-9-2-1-3-10(9)5-13(12)20-14/h4-6,8H,1-3,7H2,(H,16,17,18)