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

Systemtic Name: 6-chloranyl-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C23H17ClN6OS MolecularWeight: 460.93868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN6OS/c24-17-8-9-19-18(11-17)22(31)27-20(26-19)14-32-23-29-28-21(16-7-4-10-25-12-16)30(23)13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,26,27,31)