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

Systemtic Name: 4-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NN=C(N4N)C5=CN=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NN=C(N4N)C5=CN=CC=C5

InChI

InChI=1S/C20H17N5O2S/c21-25-19(14-5-2-6-22-10-14)23-24-20(25)28-11-15-9-18(26)27-17-8-13-4-1-3-12(13)7-16(15)17/h2,5-10H,1,3-4,11,21H2