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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C26H28ClN3O2S MolecularWeight: 482.03742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H28ClN3O2S/c1-4-5-6-7-14-30-25(19-9-11-21(27)12-10-19)28-29-26(30)33-16-20-15-23(31)32-24-18(3)17(2)8-13-22(20)24/h8-13,15H,4-7,14,16H2,1-3H3