4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C26H20ClN3O2S MolecularWeight: 473.9739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C26H20ClN3O2S/c1-16-8-13-22-19(14-23(31)32-24(22)17(16)2)15-33-26-29-28-25(18-9-11-20(27)12-10-18)30(26)21-6-4-3-5-7-21/h3-14H,15H2,1-2H3