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

Systemtic Name: 7-methyl-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C18H18F3N3O2S MolecularWeight: 397.41463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C)C(F)(F)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C)C(F)(F)F)C(C)C

InChI

InChI=1S/C18H18F3N3O2S/c1-9(2)12-7-13-11(6-15(25)26-14(13)5-10(12)3)8-27-17-23-22-16(24(17)4)18(19,20)21/h5-7,9H,8H2,1-4H3