N-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]acetamide CAS Name: N-[4-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[4-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-keto-chromen-7-yl]acetamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4CCCC4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4CCCC4

InChI

InChI=1S/C19H20N4O3S/c1-11(24)20-14-6-7-15-13(8-17(25)26-16(15)9-14)10-27-19-21-18(22-23-19)12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,20,24)(H,21,22,23)