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

Systemtic Name: 3-cyclopropyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-cyclopropyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-cyclopropyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-quinazolinone IUPAC Name: 3-cyclopropyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-cyclopropyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinazolin-4-one Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CC=CC=C3C2=O)CSC4=NNC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=NC3=CC=CC=C3C2=O)CSC4=NNC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C20H17N5OS/c26-19-15-8-4-5-9-16(15)21-17(25(19)14-10-11-14)12-27-20-22-18(23-24-20)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,22,23,24)