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

Systemtic Name: N-[4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-chromen-7-yl]acetamide CAS Name: N-[4-[[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]chromen-7-yl]acetamide Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C27H22N4O4S/c1-17(32)28-20-11-12-23-19(14-25(33)35-24(23)15-20)16-36-27-30-29-26(18-7-6-10-22(13-18)34-2)31(27)21-8-4-3-5-9-21/h3-15H,16H2,1-2H3,(H,28,32)