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

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-ethyl-coumarin Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)C5CC5

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C20H21N3O2S/c1-2-12-3-8-16-14(10-18(24)25-17(16)9-12)11-26-20-22-21-19(13-4-5-13)23(20)15-6-7-15/h3,8-10,13,15H,2,4-7,11H2,1H3