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

Systemtic Name: 4-[[5-[(2-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C22H20FN3O2S2 MolecularWeight: 441.541503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)NC4=CC=CC=C4F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)NC4=CC=CC=C4F)C(C)C

InChI

InChI=1S/C22H20FN3O2S2/c1-12(2)15-10-16-14(9-20(27)28-19(16)8-13(15)3)11-29-22-26-25-21(30-22)24-18-7-5-4-6-17(18)23/h4-10,12H,11H2,1-3H3,(H,24,25)