4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C28H32ClN3O2S MolecularWeight: 510.09058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H32ClN3O2S/c1-5-6-7-8-13-32-27(20-9-11-22(29)12-10-20)30-31-28(32)35-17-21-15-26(33)34-25-14-19(4)23(18(2)3)16-24(21)25/h9-12,14-16,18H,5-8,13,17H2,1-4H3