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

Systemtic Name: 7-chloranyl-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C4=CC(=CC=C4)C

InChI

InChI=1S/C21H20ClN5OS/c1-3-9-27-19(14-6-4-5-13(2)10-14)25-26-21(27)29-12-18-23-17-11-15(22)7-8-16(17)20(28)24-18/h4-8,10-11H,3,9,12H2,1-2H3,(H,23,24,28)