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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one CAS Name: 2-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-one Formula: C26H22N6OS MolecularWeight: 466.55748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C26H22N6OS/c33-25-21-10-4-5-11-22(21)28-23(31(25)16-18-7-2-1-3-8-18)17-34-26-30-29-24(32(26)20-12-13-20)19-9-6-14-27-15-19/h1-11,14-15,20H,12-13,16-17H2