2-[[5-[(4-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(4-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C18H14FN5OS2 MolecularWeight: 399.465063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(S3)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(S3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C18H14FN5OS2/c1-10-3-2-4-13-15(10)21-14(22-16(13)25)9-26-18-24-23-17(27-18)20-12-7-5-11(19)6-8-12/h2-8H,9H2,1H3,(H,20,23)(H,21,22,25)