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

Systemtic Name: N-[2-oxidanylidene-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-7-yl]ethanamide Openeye Name: N-[4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]acetamide CAS Name: N-[2-oxo-4-[[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[4-[[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-chromen-7-yl]acetamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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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)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3S/c1-18(32)28-21-12-13-23-20(15-26(33)34-24(23)16-21)17-35-27-30-29-25(14-19-8-4-2-5-9-19)31(27)22-10-6-3-7-11-22/h2-13,15-16H,14,17H2,1H3,(H,28,32)