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

Systemtic Name: 4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)C5=CN=CC=C5

InChI

InChI=1S/C20H16N4O3S/c25-15-5-6-16-13(8-18(26)27-17(16)9-15)11-28-20-23-22-19(24(20)14-3-4-14)12-2-1-7-21-10-12/h1-2,5-10,14,25H,3-4,11H2