3-[3,5-bis(trifluoromethyl)phenyl]-2-prop-2-ynylsulfanyl-quinazolin-4-one

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-prop-2-ynylsulfanyl-quinazolin-4-one Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-prop-2-ynylsulfanyl-quinazolin-4-one CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-(prop-2-ynylthio)-4-quinazolinone IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-prop-2-ynylsulfanylquinazolin-4-one Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-(propargylthio)quinazolin-4-one Formula: C19H10F6N2OS MolecularWeight: 428.350919

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C#CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H10F6N2OS/c1-2-7-29-17-26-15-6-4-3-5-14(15)16(28)27(17)13-9-11(18(20,21)22)8-12(10-13)19(23,24)25/h1,3-6,8-10H,7H2