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

Systemtic Name: N-[2-oxidanylidene-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]ethanamide Openeye Name: N-[2-oxo-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]acetamide CAS Name: N-[2-oxo-4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-7-yl]acetamide IUPAC Name: N-[2-oxo-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]chromen-7-yl]acetamide Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O3S/c1-13(25)22-15-7-8-17-14(9-19(26)27-18(17)10-15)11-28-20-23-21-12-24(20)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,22,25)