2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C17H13FN6OS MolecularWeight: 368.388123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NNC(=N3)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NNC(=N3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H13FN6OS/c18-10-5-7-11(8-6-10)24-14(9-26-17-21-16(19)22-23-17)20-13-4-2-1-3-12(13)15(24)25/h1-8H,9H2,(H3,19,21,22,23)