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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C25H26ClN3O2S MolecularWeight: 468.01084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClN3O2S/c1-3-4-5-6-13-29-24(18-8-10-20(26)11-9-18)27-28-25(29)32-16-19-15-23(30)31-22-14-17(2)7-12-21(19)22/h7-12,14-15H,3-6,13,16H2,1-2H3