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

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C25H18ClN3O3S MolecularWeight: 475.94672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H18ClN3O3S/c1-31-20-11-12-21-17(13-23(30)32-22(21)14-20)15-33-25-28-27-24(16-5-3-2-4-6-16)29(25)19-9-7-18(26)8-10-19/h2-14H,15H2,1H3