7-chloranyl-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one Formula: C22H16ClN5OS2 MolecularWeight: 465.97834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CS5

InChI

InChI=1S/C22H16ClN5OS2/c23-15-8-9-16-17(11-15)24-19(25-21(16)29)13-31-22-27-26-20(18-7-4-10-30-18)28(22)12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,24,25,29)