1-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C20H13N3O2S2 MolecularWeight: 391.46612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NNC(=N4)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NNC(=N4)C5=CC=CS5

InChI

InChI=1S/C20H13N3O2S2/c24-17-10-13(11-27-20-21-19(22-23-20)16-6-3-9-26-16)18-14-5-2-1-4-12(14)7-8-15(18)25-17/h1-10H,11H2,(H,21,22,23)