7-ethyl-4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 7-ethyl-4-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-ethyl-coumarin Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-3-15-9-10-18-17(13-21(26)27-19(18)11-15)14-28-22-24-23-20(25(22)2)12-16-7-5-4-6-8-16/h4-11,13H,3,12,14H2,1-2H3