4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C)CC4=CC=CC=C4

InChI

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