6-chloranyl-2-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

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