2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H21N5OS/c1-14-6-5-9-17-19(14)23-18(24-21(17)28)13-29-22-26-25-20(16-10-11-16)27(22)12-15-7-3-2-4-8-15/h2-9,16H,10-13H2,1H3,(H,23,24,28)