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

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C25H18ClN3O2S MolecularWeight: 459.94732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H18ClN3O2S/c1-16-7-12-21-18(14-23(30)31-22(21)13-16)15-32-25-28-27-24(17-5-3-2-4-6-17)29(25)20-10-8-19(26)9-11-20/h2-14H,15H2,1H3