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

Systemtic Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C28H30FN3O2S MolecularWeight: 491.620103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5F)C(C)C

InChI

InChI=1S/C28H30FN3O2S/c1-17(2)22-15-23-19(14-26(33)34-25(23)13-18(22)3)16-35-28-31-30-27(21-11-7-8-12-24(21)29)32(28)20-9-5-4-6-10-20/h7-8,11-15,17,20H,4-6,9-10,16H2,1-3H3