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

Systemtic Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-coumarin Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C21H17N3O3S/c25-16-8-9-17-14(10-19(26)27-18(17)11-16)12-28-21-22-20(13-6-7-13)24(23-21)15-4-2-1-3-5-15/h1-5,8-11,13,25H,6-7,12H2