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

Systemtic Name: 4-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-methyl-coumarin Formula: C14H10ClF3N4O2S MolecularWeight: 390.76801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C(F)(F)F)Cl

InChI

InChI=1S/C14H10ClF3N4O2S/c1-6-2-10-8(4-9(6)15)7(3-11(23)24-10)5-25-13-21-20-12(22(13)19)14(16,17)18/h2-4H,5,19H2,1H3