4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-bis(oxidanyl)chromen-2-one Openeye Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dihydroxy-chromen-2-one CAS Name: 4-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dihydroxy-1-benzopyran-2-one IUPAC Name: 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dihydroxychromen-2-one Traditional Name: 4-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dihydroxy-coumarin Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC(=O)OC5=CC(=C(C=C45)O)O

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC(=O)OC5=CC(=C(C=C45)O)O

InChI

InChI=1S/C21H17N3O4S/c25-16-9-15-13(8-19(27)28-18(15)10-17(16)26)11-29-21-22-20(12-6-7-12)24(23-21)14-4-2-1-3-5-14/h1-5,8-10,12,25-26H,6-7,11H2