3-[3-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(3-ketobenzo[f]chromen-1-yl)methylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C23H18N4O3S2 MolecularWeight: 462.54402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NN=C(N4CCC(=O)N)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NN=C(N4CCC(=O)N)C5=CC=CS5

InChI

InChI=1S/C23H18N4O3S2/c24-19(28)9-10-27-22(18-6-3-11-31-18)25-26-23(27)32-13-15-12-20(29)30-17-8-7-14-4-1-2-5-16(14)21(15)17/h1-8,11-12H,9-10,13H2,(H2,24,28)