4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

CCN1C=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

InChI=1S/C18H21N3O2S/c1-5-21-10-19-20-18(21)24-9-13-7-17(22)23-16-6-12(4)14(11(2)3)8-15(13)16/h6-8,10-11H,5,9H2,1-4H3