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

Systemtic Name: 6-chloranyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C17H13ClN6OS MolecularWeight: 384.84272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C17H13ClN6OS/c1-24-15(10-4-6-19-7-5-10)22-23-17(24)26-9-14-20-13-3-2-11(18)8-12(13)16(25)21-14/h2-8H,9H2,1H3,(H,20,21,25)