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

Systemtic Name: 7-ethyl-4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 7-ethyl-4-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-7-ethyl-coumarin Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O2S/c1-3-16-10-11-19-18(14-22(27)28-20(19)12-16)15-29-23-25-24-21(26(23)4-2)13-17-8-6-5-7-9-17/h5-12,14H,3-4,13,15H2,1-2H3