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

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)C5CC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C19H19N3O2S/c1-11-2-7-15-13(9-17(23)24-16(15)8-11)10-25-19-21-20-18(12-3-4-12)22(19)14-5-6-14/h2,7-9,12,14H,3-6,10H2,1H3