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

Systemtic Name: N-[4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]acetamide CAS Name: N-[4-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[4-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-keto-chromen-7-yl]acetamide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-10(23)19-12-5-6-13-11(7-15(24)25-14(13)8-12)9-26-17-20-16(21-22-17)18(2,3)4/h5-8H,9H2,1-4H3,(H,19,23)(H,20,21,22)