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

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-coumarin Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C18H17N3O3S/c22-13-5-6-14-11(7-16(23)24-15(14)8-13)9-25-18-20-19-17(10-1-2-10)21(18)12-3-4-12/h5-8,10,12,22H,1-4,9H2