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

Systemtic Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C18H12ClN3O3S MolecularWeight: 385.82418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C18H12ClN3O3S/c19-12-2-1-3-13(7-12)22-10-20-21-18(22)26-9-11-6-17(24)25-16-8-14(23)4-5-15(11)16/h1-8,10,23H,9H2